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

C21H25N3O — CID 142597987

IUPAC6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(Cc2cc3c(nc2C)CN(C2CCCCC2)C3=O)cn1
InChIInChI=1S/C21H25N3O/c1-14-8-9-16(12-22-14)10-17-11-19-20(23-15(17)2)13-24(21(19)25)18-6-4-3-5-7-18/h8-9,11-12,18H,3-7,10,13H2,1-2H3
InChIKeyPPAZKMXMVCRRKZ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.97
Rot. Bonds3

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

6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 142597987) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID142597987
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(Cc2cc3c(nc2C)CN(C2CCCCC2)C3=O)cn1
InChIInChI=1S/C21H25N3O/c1-14-8-9-16(12-22-14)10-17-11-19-20(23-15(17)2)13-24(21(19)25)18-6-4-3-5-7-18/h8-9,11-12,18H,3-7,10,13H2,1-2H3
InChIKeyPPAZKMXMVCRRKZ-UHFFFAOYSA-N
XLogP3.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-2-methyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 142597982
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-[[(4-methylpyrimidin-2-yl)amino]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56862358
3-[(1S,2S)-2-hydroxycyclohexyl]-2-methyl-6-[(6-methyl-3-pyridinyl)methyl]-1H-benzo[f]phthalazin-4-one
CID 130441259
6-cyclopentyl-2-methoxy-3-[(propan-2-ylamino)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 56865337
3-cyclohexyl-7-methyl-6-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-2H-1,3-benzoxazin-4-one
CID 155275173
3-[(1S,2S)-2-hydroxycyclohexyl]-1-methyl-6-[(6-methyl-3-pyridinyl)methyl]-2H-pyrido[3,2-h]quinazolin-4-one
CID 130229886
6-cyclopentyl-2-methoxy-3-[[2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 154816155
4-chloro-2-cyclopentyl-5-methyl-6-[(4-pyrazol-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 146614246
N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]-4-fluorobenzamide
CID 56875170
N-cyclohexyl-N-cyclopropyl-2-(6-methyl-3-pyridinyl)acetamide
CID 71938431
6-amino-N-[(6-cyclopentyl-2-methoxy-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 56881056

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 142597987) is 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(Cc2cc3c(nc2C)CN(C2CCCCC2)C3=O)cn1.
What is the InChIKey of 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is PPAZKMXMVCRRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-8-9-16(12-22-14)10-17-11-19-20(23-15(17)2)13-24(21(19)25)18-6-4-3-5-7-18/h8-9,11-12,18H,3-7,10,13H2,1-2H3.
What are the key properties of 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 335.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-methyl-3-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 142597987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).