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

C27H29IN8O2S — CID 67261270

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

N-[3-iodo-1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 67261270) has the molecular formula C27H29IN8O2S and a molecular weight of 656.55 g/mol. Its IUPAC name is N-[3-iodo-1-[(2-methyl-1,3-thiazol-5-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-iodo-1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 67261270
• Molecular Formula: C27H29IN8O2S
• Molecular Weight: 656.55 g/mol
• Exact Mass: 656.12
• IUPAC Name: N-[3-iodo-1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ncc(Cn2nc(I)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)s1
• InChI: InChI=1S/C27H29IN8O2S/c1-18-29-15-20(39-18)17-36-22-5-3-4-21(25(22)26(28)32-36)31-27(37)23-16-30-24-14-19(6-7-35(23)24)38-13-12-34-10-8-33(2)9-11-34/h3-7,14-16H,8-13,17H2,1-2H3,(H,31,37)
• InChIKey: JYJSLERSUMRWQZ-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 92.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.55
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-iodo-1-[(2-methyl-1,3-thiazol-5-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-iodo-1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 67261270) is N-[3-iodo-1-[(2-methyl-1,3-thiazol-5-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-iodo-1-[(2-methyl-1,3-thiazol-5-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-iodo-1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ncc(Cn2nc(I)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)CC6)ccn45)cccc32)s1.

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

The InChIKey is JYJSLERSUMRWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29IN8O2S/c1-18-29-15-20(39-18)17-36-22-5-3-4-21(25(22)26(28)32-36)31-27(37)23-16-30-24-14-19(6-7-35(23)24)38-13-12-34-10-8-33(2)9-11-34/h3-7,14-16H,8-13,17H2,1-2H3,(H,31,37).

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

N-[3-iodo-1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 656.55 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-iodo-1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-4-yl]-7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 67261270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).