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

C20H17N3O — CID 50975890

IUPAC6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(C(c2ccncc2)N2Cc3ncccc3C2=O)cc1
InChIInChI=1S/C20H17N3O/c1-14-4-6-15(7-5-14)19(16-8-11-21-12-9-16)23-13-18-17(20(23)24)3-2-10-22-18/h2-12,19H,13H2,1H3
InChIKeyZJSSTRGGKACMIS-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.53
Rot. Bonds3

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

6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50975890) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50975890
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1ccc(C(c2ccncc2)N2Cc3ncccc3C2=O)cc1
InChIInChI=1S/C20H17N3O/c1-14-4-6-15(7-5-14)19(16-8-11-21-12-9-16)23-13-18-17(20(23)24)3-2-10-22-18/h2-12,19H,13H2,1H3
InChIKeyZJSSTRGGKACMIS-UHFFFAOYSA-N
XLogP3.53
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955034
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-[(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
6-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95133154
methyl (2R)-4-methylsulfanyl-2-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)butanoate
CID 95135313
1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-2,3-dione
CID 141384491
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
10a-(4-methylphenyl)-1,2,3,10-tetrahydroimidazo[1,2-g][1,6]naphthyridin-5-one
CID 143649447
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

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50975890) is 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1ccc(C(c2ccncc2)N2Cc3ncccc3C2=O)cc1.
What is the InChIKey of 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is ZJSSTRGGKACMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-4-6-15(7-5-14)19(16-8-11-21-12-9-16)23-13-18-17(20(23)24)3-2-10-22-18/h2-12,19H,13H2,1H3.
What are the key properties of 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 315.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50975890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).