N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide

C25H28FN7O2 — CID 167501784

About N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide (PubChem CID 167501784) has the molecular formula C25H28FN7O2 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide.

Molecular Properties

• Compound Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide
• PubChem CID: 167501784
• Molecular Formula: C25H28FN7O2
• Molecular Weight: 477.54 g/mol
• Exact Mass: 477.23
• IUPAC Name: N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide
• SMILES: C=C(CCO)Cn1cc2c(N3CCNCC3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
• InChI: InChI=1S/C25H28FN7O2/c1-16(5-10-34)12-33-15-20-22(31-8-6-27-7-9-31)4-3-19(23(20)30-33)25(35)29-18-11-21(26)24-28-17(2)13-32(24)14-18/h3-4,11,13-15,27,34H,1,5-10,12H2,2H3,(H,29,35)
• InChIKey: CPZXJBWMRTZGTF-UHFFFAOYSA-N
• XLogP: 2.73
• TPSA: 99.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.54
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide?

The IUPAC name of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide (CID 167501784) is N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide.

What is the SMILES notation for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide?

The canonical SMILES for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide is C=C(CCO)Cn1cc2c(N3CCNCC3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.

What is the InChIKey of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide?

The InChIKey is CPZXJBWMRTZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN7O2/c1-16(5-10-34)12-33-15-20-22(31-8-6-27-7-9-31)4-3-19(23(20)30-33)25(35)29-18-11-21(26)24-28-17(2)13-32(24)14-18/h3-4,11,13-15,27,34H,1,5-10,12H2,2H3,(H,29,35).

What are the key properties of N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide?

N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide is sourced from PubChem (CID 167501784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).