N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C32H36N8O2 — CID 123811292

About N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123811292) has the molecular formula C32H36N8O2 and a molecular weight of 564.69 g/mol. Its IUPAC name is N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 123811292
• Molecular Formula: C32H36N8O2
• Molecular Weight: 564.69 g/mol
• Exact Mass: 564.30
• IUPAC Name: N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cccc(C(c2[nH]nc3cccc(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)c23)C2CC2)n1
• InChI: InChI=1S/C32H36N8O2/c1-21-5-3-6-24(34-21)29(22-9-10-22)31-30-25(7-4-8-26(30)36-37-31)35-32(41)27-20-33-28-19-23(11-12-40(27)28)42-18-17-39-15-13-38(2)14-16-39/h3-8,11-12,19-20,22,29H,9-10,13-18H2,1-2H3,(H,35,41)(H,36,37)
• InChIKey: MRRMLXWLOGNFRV-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 103.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.69
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 123811292) is N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(C(c2[nH]nc3cccc(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)c23)C2CC2)n1.

What is the InChIKey of N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is MRRMLXWLOGNFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N8O2/c1-21-5-3-6-24(34-21)29(22-9-10-22)31-30-25(7-4-8-26(30)36-37-31)35-32(41)27-20-33-28-19-23(11-12-40(27)28)42-18-17-39-15-13-38(2)14-16-39/h3-8,11-12,19-20,22,29H,9-10,13-18H2,1-2H3,(H,35,41)(H,36,37).

What are the key properties of N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 564.69 g/mol, XLogP of 4.33, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-2H-indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123811292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).