4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one

C20H16N2O2 — CID 166634512

IUPAC4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(-c2nccc3c2CN(c2ccccc2)C3=O)c1
InChIInChI=1S/C20H16N2O2/c1-24-16-9-5-6-14(12-16)19-18-13-22(15-7-3-2-4-8-15)20(23)17(18)10-11-21-19/h2-12H,13H2,1H3
InChIKeyCECLXQDMAJQBCR-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.92
Rot. Bonds3

About 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one

4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 166634512) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID166634512
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1cccc(-c2nccc3c2CN(c2ccccc2)C3=O)c1
InChIInChI=1S/C20H16N2O2/c1-24-16-9-5-6-14(12-16)19-18-13-22(15-7-3-2-4-8-15)20(23)17(18)10-11-21-19/h2-12H,13H2,1H3
InChIKeyCECLXQDMAJQBCR-UHFFFAOYSA-N
XLogP3.92
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 166634512) is 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one is COc1cccc(-c2nccc3c2CN(c2ccccc2)C3=O)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is CECLXQDMAJQBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-24-16-9-5-6-14(12-16)19-18-13-22(15-7-3-2-4-8-15)20(23)17(18)10-11-21-19/h2-12H,13H2,1H3.
What are the key properties of 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 316.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 166634512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).