1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one

C32H32N8O3 — CID 67312128

About 1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one

1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one (PubChem CID 67312128) has the molecular formula C32H32N8O3 and a molecular weight of 576.66 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
• PubChem CID: 67312128
• Molecular Formula: C32H32N8O3
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.26
• IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one
• SMILES: COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc5c4CCN5c4ccc(-n5cccn5)cc4OC)n3)C2=O)cc1
• InChI: InChI=1S/C32H32N8O3/c1-22-19-28(26-11-15-37(31(26)34-22)27-10-7-24(20-29(27)43-3)39-14-4-13-33-39)40-16-12-30(35-40)38-18-17-36(32(38)41)21-23-5-8-25(42-2)9-6-23/h4-10,12-14,16,19-20H,11,15,17-18,21H2,1-3H3
• InChIKey: YSDBPDFRBZFJOZ-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 93.78 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one (CID 67312128) is 1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one.

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

The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one is COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc5c4CCN5c4ccc(-n5cccn5)cc4OC)n3)C2=O)cc1.

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

The InChIKey is YSDBPDFRBZFJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N8O3/c1-22-19-28(26-11-15-37(31(26)34-22)27-10-7-24(20-29(27)43-3)39-14-4-13-33-39)40-16-12-30(35-40)38-18-17-36(32(38)41)21-23-5-8-25(42-2)9-6-23/h4-10,12-14,16,19-20H,11,15,17-18,21H2,1-3H3.

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

1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 576.66 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-methoxyphenyl)methyl]-3-[1-[1-(2-methoxy-4-pyrazol-1-ylphenyl)-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 67312128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).