Name: Name:1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, ethyl ester, (3R,4R)-
Brand: Angene
SKU: AG00IM6K
Rating: 90 (10 reviews)

1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, ethyl ester, (3R,4R)-

CAS No.:

1675248-18-6

Catalog Number:

AG00IM6K

Molecular Formula:

C18H25N5O3

Molecular Weight:

359.4228

Catalog Number:

AG00IM6K

Chemical Name:

1-Piperidinepropanoic acid, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, ethyl ester, (3R,4R)-

CAS Number:

1675248-18-6

Molecular Formula:

C18H25N5O3

Molecular Weight:

359.4228

MDL Number:

MFCD30537230

IUPAC Name:

ethyl 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanoate

InChI:

InChI=1S/C18H25N5O3/c1-4-26-16(25)9-15(24)23-8-6-12(2)14(10-23)22(3)18-13-5-7-19-17(13)20-11-21-18/h5,7,11-12,14H,4,6,8-10H2,1-3H3,(H,19,20,21)/t12-,14+/m1/s1

InChI Key:

NLQJYLLAHBDQCX-OCCSQVGLSA-N

SMILES:

CCOC(=O)CC(=O)N1CC[C@H]([C@H](C1)N(c1ncnc2c1cc[nH]2)C)C

Complexity:

517

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

359.196g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

359.43g/mol

Monoisotopic Mass:

359.196g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: