6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C21H19N3O — CID 50955034

IUPAC6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(C(c2cccnc2)N2Cc3ncccc3C2=O)cc1C
InChIInChI=1S/C21H19N3O/c1-14-7-8-16(11-15(14)2)20(17-5-3-9-22-12-17)24-13-19-18(21(24)25)6-4-10-23-19/h3-12,20H,13H2,1-2H3
InChIKeyMSDAOOZXAQFMJZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.84
Rot. Bonds3

About 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50955034) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50955034
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(C(c2cccnc2)N2Cc3ncccc3C2=O)cc1C
InChIInChI=1S/C21H19N3O/c1-14-7-8-16(11-15(14)2)20(17-5-3-9-22-12-17)24-13-19-18(21(24)25)6-4-10-23-19/h3-12,20H,13H2,1-2H3
InChIKeyMSDAOOZXAQFMJZ-UHFFFAOYSA-N
XLogP3.84
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50975890
6-[(1S)-1-phenylethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 92974392
6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955652
6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50950727
6-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50984326
2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;6-propan-2-yl-7H-pyrrolo[3,4-b]pyridin-5-one;3-propan-2-yl-1,2,4-triazine
CID 159505625
3-[(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine
CID 72923605
3-[(S)-(3,4-dimethylphenyl)-[4-(1-methylimidazol-2-yl)triazol-1-yl]methyl]pyridine
CID 97148465
6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95119421
6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50981208
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
6-[(1R)-1-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528186

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50955034) is 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(C(c2cccnc2)N2Cc3ncccc3C2=O)cc1C.
What is the InChIKey of 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MSDAOOZXAQFMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-14-7-8-16(11-15(14)2)20(17-5-3-9-22-12-17)24-13-19-18(21(24)25)6-4-10-23-19/h3-12,20H,13H2,1-2H3.
What are the key properties of 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 329.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50955034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).