[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone

C30H34N8O2 — CID 163273606

About [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone

[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone (PubChem CID 163273606) has the molecular formula C30H34N8O2 and a molecular weight of 538.66 g/mol. Its IUPAC name is [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

• Compound Name: [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone
• PubChem CID: 163273606
• Molecular Formula: C30H34N8O2
• Molecular Weight: 538.66 g/mol
• Exact Mass: 538.28
• IUPAC Name: [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone
• SMILES: COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(C(C)C)n2)c(C)c(C(=O)N2CCNCC2)n3C)c(C)n1
• InChI: InChI=1S/C30H34N8O2/c1-17(2)28-27-18(3)29(30(39)37-11-9-31-10-12-37)36(5)24(27)14-26(35-28)38-23-13-22(34-19(4)20(23)16-33-38)21-15-32-8-7-25(21)40-6/h7-8,13-17,31H,9-12H2,1-6H3
• InChIKey: JBXMBLCGCKJWIG-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 102.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.66
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone?

The IUPAC name of [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone (CID 163273606) is [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone.

What is the SMILES notation for [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone?

The canonical SMILES for [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone is COc1ccncc1-c1cc2c(cnn2-c2cc3c(c(C(C)C)n2)c(C)c(C(=O)N2CCNCC2)n3C)c(C)n1.

What is the InChIKey of [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone?

The InChIKey is JBXMBLCGCKJWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N8O2/c1-17(2)28-27-18(3)29(30(39)37-11-9-31-10-12-37)36(5)24(27)14-26(35-28)38-23-13-22(34-19(4)20(23)16-33-38)21-15-32-8-7-25(21)40-6/h7-8,13-17,31H,9-12H2,1-6H3.

What are the key properties of [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone?

[6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 538.66 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 163273606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).