1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one

C32H34N6O4 — CID 67312116

About 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one (PubChem CID 67312116) has the molecular formula C32H34N6O4 and a molecular weight of 566.66 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one
• PubChem CID: 67312116
• Molecular Formula: C32H34N6O4
• Molecular Weight: 566.66 g/mol
• Exact Mass: 566.26
• IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one
• SMILES: COc1ccc(N2CCc3c(-c4nccc(N5CCN(Cc6ccc(OC)c(OC)c6)C5=O)n4)cc(C)nc32)c(C)c1
• InChI: InChI=1S/C32H34N6O4/c1-20-16-23(40-3)7-8-26(20)37-13-11-24-25(17-21(2)34-31(24)37)30-33-12-10-29(35-30)38-15-14-36(32(38)39)19-22-6-9-27(41-4)28(18-22)42-5/h6-10,12,16-18H,11,13-15,19H2,1-5H3
• InChIKey: GPOHIIGAZMSMRA-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 93.15 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.66
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one?

The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one (CID 67312116) is 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one.

What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one?

The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one is COc1ccc(N2CCc3c(-c4nccc(N5CCN(Cc6ccc(OC)c(OC)c6)C5=O)n4)cc(C)nc32)c(C)c1.

What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one?

The InChIKey is GPOHIIGAZMSMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N6O4/c1-20-16-23(40-3)7-8-26(20)37-13-11-24-25(17-21(2)34-31(24)37)30-33-12-10-29(35-30)38-15-14-36(32(38)39)19-22-6-9-27(41-4)28(18-22)42-5/h6-10,12,16-18H,11,13-15,19H2,1-5H3.

What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one?

1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one has a molecular weight of 566.66 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,4-dimethoxyphenyl)methyl]-3-[2-[1-(4-methoxy-2-methylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 67312116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).