Name: Name:(1S,2S,4R)-4-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentanol
Brand: Angene
SKU: AG00ILVW
Rating: 90 (10 reviews)

(1S,2S,4R)-4-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentanol

CAS No.:

905580-90-7

Catalog Number:

AG00ILVW

Molecular Formula:

C21H24N4O2

Molecular Weight:

364.4409

Catalog Number:

AG00ILVW

Chemical Name:

(1S,2S,4R)-4-(4-((S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentanol

CAS Number:

905580-90-7

Molecular Formula:

C21H24N4O2

Molecular Weight:

364.4409

MDL Number:

MFCD18207033

IUPAC Name:

(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-(hydroxymethyl)cyclopentan-1-ol

InChI:

InChI=1S/C21H24N4O2/c26-11-14-9-15(10-19(14)27)25-8-7-17-20(22-12-23-21(17)25)24-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,26-27H,5-6,9-11H2,(H,22,23,24)/t14-,15+,18-,19-/m0/s1

InChI Key:

XXPPXBPNHSWHBK-QXGSTGNESA-N

SMILES:

OC[C@@H]1C[C@H](C[C@@H]1O)n1ccc2c1ncnc2N[C@H]1CCc2c1cccc2

Complexity:

520

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

364.19g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

364.449g/mol

Monoisotopic Mass:

364.19g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8