6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one

C20H17N3O — CID 162146956

IUPAC6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1ccc(-c2cnc3c(c2)N(Cc2ccccn2)C(=O)C3)cc1
InChIInChI=1S/C20H17N3O/c1-14-5-7-15(8-6-14)16-10-19-18(22-12-16)11-20(24)23(19)13-17-4-2-3-9-21-17/h2-10,12H,11,13H2,1H3
InChIKeyZKRJVULISPNKCU-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.54
Rot. Bonds3

About 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one

6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 162146956) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID162146956
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1ccc(-c2cnc3c(c2)N(Cc2ccccn2)C(=O)C3)cc1
InChIInChI=1S/C20H17N3O/c1-14-5-7-15(8-6-14)16-10-19-18(22-12-16)11-20(24)23(19)13-17-4-2-3-9-21-17/h2-10,12H,11,13H2,1H3
InChIKeyZKRJVULISPNKCU-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethyl)-3H-indol-2-one
CID 90893291
3-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 102582008
3-methyl-1-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 66074326
3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110572162
4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423586
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110572184
6-(2,4-difluoro-3-methylphenyl)-1-[(5-fluoro-3-pyridinyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 159043288
6-(4-fluoro-2-methoxyphenyl)-1-[(3-fluorophenyl)methyl]-3H-pyrrolo[3,2-b]pyridin-2-one
CID 153047463
5-amino-2-oxo-1-(pyridin-2-ylmethyl)-3H-pyrrole-4-carboxylic acid
CID 82128968
3-methyl-3-[(2,3,4,5,6-pentamethylphenyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-2,5-dione
CID 135059093
6-amino-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423588
3-(4-methylphenyl)-4-(3-propoxyanilino)-1-(pyridin-2-ylmethyl)pyrrole-2,5-dione
CID 110600524

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one (CID 162146956) is 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one is Cc1ccc(-c2cnc3c(c2)N(Cc2ccccn2)C(=O)C3)cc1.
What is the InChIKey of 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is ZKRJVULISPNKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-14-5-7-15(8-6-14)16-10-19-18(22-12-16)11-20(24)23(19)13-17-4-2-3-9-21-17/h2-10,12H,11,13H2,1H3.
What are the key properties of 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one?
6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 315.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-1-(pyridin-2-ylmethyl)-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 162146956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).