N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C30H37N9O2 — CID 67261556

About N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261556) has the molecular formula C30H37N9O2 and a molecular weight of 555.69 g/mol. Its IUPAC name is N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 67261556
• Molecular Formula: C30H37N9O2
• Molecular Weight: 555.69 g/mol
• Exact Mass: 555.31
• IUPAC Name: N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
• InChI: InChI=1S/C30H37N9O2/c1-5-24-29-25(7-6-8-26(29)39(34-24)20-22-17-21(2)36(4)33-22)32-30(40)27-19-31-28-18-23(9-10-38(27)28)41-16-15-37-13-11-35(3)12-14-37/h6-10,17-19H,5,11-16,20H2,1-4H3,(H,32,40)
• InChIKey: XWKGLGFBQRWHIP-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 97.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.69
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67261556) is N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cc(C)n(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12.

What is the InChIKey of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is XWKGLGFBQRWHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N9O2/c1-5-24-29-25(7-6-8-26(29)39(34-24)20-22-17-21(2)36(4)33-22)32-30(40)27-19-31-28-18-23(9-10-38(27)28)41-16-15-37-13-11-35(3)12-14-37/h6-10,17-19H,5,11-16,20H2,1-4H3,(H,32,40).

What are the key properties of N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 555.69 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-ethylindazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67261556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).