2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one

C27H31N3O2 — CID 22038471

IUPAC2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(N2CCCCC2)C3=O)cc1
InChIInChI=1S/C27H31N3O2/c1-19-9-5-6-10-23(19)30-24-15-18-29(28-16-7-4-8-17-28)27(31)25(24)20(2)26(30)21-11-13-22(32-3)14-12-21/h5-6,9-14H,4,7-8,15-18H2,1-3H3
InChIKeyNAYVXNREEBMZNJ-UHFFFAOYSA-N
MW429.56 g/mol
LogP5.17
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one

2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 22038471) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
PubChem CID22038471
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(N2CCCCC2)C3=O)cc1
InChIInChI=1S/C27H31N3O2/c1-19-9-5-6-10-23(19)30-24-15-18-29(28-16-7-4-8-17-28)27(31)25(24)20(2)26(30)21-11-13-22(32-3)14-12-21/h5-6,9-14H,4,7-8,15-18H2,1-3H3
InChIKeyNAYVXNREEBMZNJ-UHFFFAOYSA-N
XLogP5.17
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one (CID 22038471) is 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one is COc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(N2CCCCC2)C3=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is NAYVXNREEBMZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-19-9-5-6-10-23(19)30-24-15-18-29(28-16-7-4-8-17-28)27(31)25(24)20(2)26(30)21-11-13-22(32-3)14-12-21/h5-6,9-14H,4,7-8,15-18H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one?
2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 429.56 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-1-(2-methylphenyl)-5-piperidin-1-yl-6,7-dihydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 22038471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).