N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

C31H38N8O2S — CID 67261634

About N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261634) has the molecular formula C31H38N8O2S and a molecular weight of 586.77 g/mol. Its IUPAC name is N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 67261634
• Molecular Formula: C31H38N8O2S
• Molecular Weight: 586.77 g/mol
• Exact Mass: 586.28
• IUPAC Name: N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12
• InChI: InChI=1S/C31H38N8O2S/c1-5-24-29-25(7-6-8-26(29)39(35-24)19-22-20-42-31(33-22)21(2)3)34-30(40)27-18-32-28-17-23(9-10-38(27)28)41-16-15-37-13-11-36(4)12-14-37/h6-10,17-18,20-21H,5,11-16,19H2,1-4H3,(H,34,40)
• InChIKey: FYLCAOZAZWECHN-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 92.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.77
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67261634) is N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]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-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2csc(C(C)C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CCN(C)CC5)ccn34)c12.

What is the InChIKey of N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is FYLCAOZAZWECHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N8O2S/c1-5-24-29-25(7-6-8-26(29)39(35-24)19-22-20-42-31(33-22)21(2)3)34-30(40)27-18-32-28-17-23(9-10-38(27)28)41-16-15-37-13-11-36(4)12-14-37/h6-10,17-18,20-21H,5,11-16,19H2,1-4H3,(H,34,40).

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

N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 586.77 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-ethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67261634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).