N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide

C24H25F3N6O3 — CID 88570954

IUPACN-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(C)F)c2)C3=O)cc1C(=O)NCC(F)F
InChIInChI=1S/C24H25F3N6O3/c1-12-5-18(15-6-17(23(36-4)29-7-15)22(34)28-9-19(26)27)31-21-14(3)33(24(35)20(12)21)16-8-30-32(11-16)10-13(2)25/h5-8,11,13-14,19H,9-10H2,1-4H3,(H,28,34)
InChIKeyNIVPDYRJMVRDCH-UHFFFAOYSA-N
MW502.50 g/mol
LogP3.73
Rot. Bonds8

About N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide

N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 88570954) has the molecular formula C24H25F3N6O3 and a molecular weight of 502.50 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide
PubChem CID88570954
Molecular FormulaC24H25F3N6O3
Molecular Weight502.50 g/mol
Exact Mass502.19
IUPAC NameN-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(C)F)c2)C3=O)cc1C(=O)NCC(F)F
InChIInChI=1S/C24H25F3N6O3/c1-12-5-18(15-6-17(23(36-4)29-7-15)22(34)28-9-19(26)27)31-21-14(3)33(24(35)20(12)21)16-8-30-32(11-16)10-13(2)25/h5-8,11,13-14,19H,9-10H2,1-4H3,(H,28,34)
InChIKeyNIVPDYRJMVRDCH-UHFFFAOYSA-N
XLogP3.73
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

2-(5,6-dimethoxy-3-pyridinyl)-7-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 66743331
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-(oxolan-3-yl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 162567563
7-butyl-2-(6-ethoxy-5-methoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-4-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 131995240
2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 88570873
(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-[(2R)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
CID 134423683
(7S)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5,6-dimethoxy-3-pyridinyl)-6-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-7-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-ethoxy-6-methoxy-3-pyridinyl)-7-(2-methoxyethoxy)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-methoxy-N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-methoxy-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid;2-methyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 159855442
N-(2,2-difluoroethyl)-6-methoxy-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467158
2-[5-(difluoromethoxy)-3-pyridinyl]-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(difluoromethoxy)-3-pyridinyl]-6-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[4-[2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-5'-oxospiro[oxane-4,7'-pyrrolo[3,4-b]pyridine]-6'-yl]pyrazol-1-yl]-2-methylpropanenitrile;2'-(5,6-dimethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;2-(6-ethoxy-5-methoxy-3-pyridinyl)-7-ethyl-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 158944359
2-[5-[(dimethylamino)methylamino]-6-methoxy-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 162589372
N-cyclopropyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-4-methyl-7-(2,2,2-trifluoroethoxy)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2'-(6-ethoxy-5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-2,7'-pyrrolo[3,4-b]pyridine]-5'-one;N-propan-2-yl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxylic acid
CID 159772066
N-(2,2-difluoroethyl)-1-[[6-(difluoromethoxy)-5-methylpyrimidin-4-yl]methyl]-6-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
CID 90467307
(7R)-2-(5,6-dimethoxy-3-pyridinyl)-7-(2-ethenoxyethoxy)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 155106743

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide (CID 88570954) is N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2cc(C)c3c(n2)C(C)N(c2cnn(CC(C)F)c2)C3=O)cc1C(=O)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is NIVPDYRJMVRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O3/c1-12-5-18(15-6-17(23(36-4)29-7-15)22(34)28-9-19(26)27)31-21-14(3)33(24(35)20(12)21)16-8-30-32(11-16)10-13(2)25/h5-8,11,13-14,19H,9-10H2,1-4H3,(H,28,34).
What are the key properties of N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide?
N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 502.50 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-[6-[1-(2-fluoropropyl)pyrazol-4-yl]-4,7-dimethyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 88570954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).