(4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone

C33H36N8O2 — CID 164514214

About (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone

(4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone (PubChem CID 164514214) has the molecular formula C33H36N8O2 and a molecular weight of 576.71 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone.

Molecular Properties

• Compound Name: (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone
• PubChem CID: 164514214
• Molecular Formula: C33H36N8O2
• Molecular Weight: 576.71 g/mol
• Exact Mass: 576.30
• IUPAC Name: (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone
• SMILES: CCN1CCN(C(=O)c2c(C)c3c(C(C)C)nc(-n4ncc5c(C)nc(-c6cncc7ccoc67)cc54)cc3n2C)CC1
• InChI: InChI=1S/C33H36N8O2/c1-7-39-9-11-40(12-10-39)33(42)31-20(4)29-27(38(31)6)15-28(37-30(29)19(2)3)41-26-14-25(36-21(5)23(26)18-35-41)24-17-34-16-22-8-13-43-32(22)24/h8,13-19H,7,9-12H2,1-6H3
• InChIKey: VKUAXWXCPXLYHK-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 98.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.71
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone?

The IUPAC name of (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone (CID 164514214) is (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone.

What is the SMILES notation for (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone?

The canonical SMILES for (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone is CCN1CCN(C(=O)c2c(C)c3c(C(C)C)nc(-n4ncc5c(C)nc(-c6cncc7ccoc67)cc54)cc3n2C)CC1.

What is the InChIKey of (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone?

The InChIKey is VKUAXWXCPXLYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N8O2/c1-7-39-9-11-40(12-10-39)33(42)31-20(4)29-27(38(31)6)15-28(37-30(29)19(2)3)41-26-14-25(36-21(5)23(26)18-35-41)24-17-34-16-22-8-13-43-32(22)24/h8,13-19H,7,9-12H2,1-6H3.

What are the key properties of (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone?

(4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone has a molecular weight of 576.71 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethylpiperazin-1-yl)-[6-(6-furo[3,2-c]pyridin-7-yl-4-methylpyrazolo[4,3-c]pyridin-1-yl)-1,3-dimethyl-4-propan-2-ylpyrrolo[3,2-c]pyridin-2-yl]methanone is sourced from PubChem (CID 164514214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).