6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

C21H22F2N2O — CID 142597982

IUPAC6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1nc2c(cc1Cc1cccc(F)c1F)C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C21H22F2N2O/c1-13-15(10-14-6-5-9-18(22)20(14)23)11-17-19(24-13)12-25(21(17)26)16-7-3-2-4-8-16/h5-6,9,11,16H,2-4,7-8,10,12H2,1H3
InChIKeyMGUXIUVSAGAMCY-UHFFFAOYSA-N
MW356.42 g/mol
LogP4.55
Rot. Bonds3

About 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one

6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 142597982) has the molecular formula C21H22F2N2O and a molecular weight of 356.42 g/mol. Its IUPAC name is 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID142597982
Molecular FormulaC21H22F2N2O
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1nc2c(cc1Cc1cccc(F)c1F)C(=O)N(C1CCCCC1)C2
InChIInChI=1S/C21H22F2N2O/c1-13-15(10-14-6-5-9-18(22)20(14)23)11-17-19(24-13)12-25(21(17)26)16-7-3-2-4-8-16/h5-6,9,11,16H,2-4,7-8,10,12H2,1H3
InChIKeyMGUXIUVSAGAMCY-UHFFFAOYSA-N
XLogP4.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 142597987
6-[(1S,2S)-2-hydroxycyclohexyl]-3-[(3-methoxyphenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 138668962
6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56865337
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 56875170
6-cyclopentyl-2-methoxy-3-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56862358
2-cyclopropyl-3H-pyrrolo[3,4-b]quinolin-1-one
CID 140533296
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-methylbutanamide
CID 56863507
6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 154816155
2-cyclohexyl-4-fluoro-5-methoxy-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 144950890
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxybutanamide
CID 95557604
(2R)-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-2-hydroxy-3-methylbutanamide
CID 95553702
6-[(1S,2S)-2-hydroxycyclohexyl]-2-methyl-3-[[4-methyl-4-(2-methylphenyl)piperidin-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 142597977

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 142597982) is 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1nc2c(cc1Cc1cccc(F)c1F)C(=O)N(C1CCCCC1)C2.
What is the InChIKey of 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MGUXIUVSAGAMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O/c1-13-15(10-14-6-5-9-18(22)20(14)23)11-17-19(24-13)12-25(21(17)26)16-7-3-2-4-8-16/h5-6,9,11,16H,2-4,7-8,10,12H2,1H3.
What are the key properties of 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 356.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 142597982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).