3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one

C33H27N3O2 — CID 139205665

IUPAC3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(Nc2c(-c3ccccc3)n(-c3ccccc3)c3cc(C)n(-c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C33H27N3O2/c1-23-22-29-30(33(37)35(23)26-14-8-4-9-15-26)31(34-25-18-20-28(38-2)21-19-25)32(24-12-6-3-7-13-24)36(29)27-16-10-5-11-17-27/h3-22,34H,1-2H3
InChIKeyUJASMNFZXDKNHS-UHFFFAOYSA-N
MW497.60 g/mol
LogP7.51
Rot. Bonds6

About 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one

3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one (PubChem CID 139205665) has the molecular formula C33H27N3O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one
PubChem CID139205665
Molecular FormulaC33H27N3O2
Molecular Weight497.60 g/mol
Exact Mass497.21
IUPAC Name3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(Nc2c(-c3ccccc3)n(-c3ccccc3)c3cc(C)n(-c4ccccc4)c(=O)c23)cc1
InChIInChI=1S/C33H27N3O2/c1-23-22-29-30(33(37)35(23)26-14-8-4-9-15-26)31(34-25-18-20-28(38-2)21-19-25)32(24-12-6-3-7-13-24)36(29)27-16-10-5-11-17-27/h3-22,34H,1-2H3
InChIKeyUJASMNFZXDKNHS-UHFFFAOYSA-N
XLogP7.51
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one (CID 139205665) is 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one is COc1ccc(Nc2c(-c3ccccc3)n(-c3ccccc3)c3cc(C)n(-c4ccccc4)c(=O)c23)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one?
The InChIKey is UJASMNFZXDKNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O2/c1-23-22-29-30(33(37)35(23)26-14-8-4-9-15-26)31(34-25-18-20-28(38-2)21-19-25)32(24-12-6-3-7-13-24)36(29)27-16-10-5-11-17-27/h3-22,34H,1-2H3.
What are the key properties of 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one?
3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one has a molecular weight of 497.60 g/mol, XLogP of 7.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-6-methyl-1,2,5-triphenylpyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 139205665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).