4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide

C31H35N9O3S — CID 71282304

About 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide

4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 71282304) has the molecular formula C31H35N9O3S and a molecular weight of 613.75 g/mol. Its IUPAC name is 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 71282304
• Molecular Formula: C31H35N9O3S
• Molecular Weight: 613.75 g/mol
• Exact Mass: 613.26
• IUPAC Name: 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5nc(C)c(C(=O)NCCCN6CCN(C)CC6)s5)cn34)c2)no1
• InChI: InChI=1S/C31H35N9O3S/c1-19-6-7-22(28-35-21(3)43-37-28)16-24(19)36-29(41)25-17-33-26-9-8-23(18-40(25)26)31-34-20(2)27(44-31)30(42)32-10-5-11-39-14-12-38(4)13-15-39/h6-9,16-18H,5,10-15H2,1-4H3,(H,32,42)(H,36,41)
• InChIKey: WULNDJADGVLRRZ-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 133.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.75
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide (CID 71282304) is 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(C)c(NC(=O)c3cnc4ccc(-c5nc(C)c(C(=O)NCCCN6CCN(C)CC6)s5)cn34)c2)no1.

What is the InChIKey of 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide?

The InChIKey is WULNDJADGVLRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N9O3S/c1-19-6-7-22(28-35-21(3)43-37-28)16-24(19)36-29(41)25-17-33-26-9-8-23(18-40(25)26)31-34-20(2)27(44-31)30(42)32-10-5-11-39-14-12-38(4)13-15-39/h6-9,16-18H,5,10-15H2,1-4H3,(H,32,42)(H,36,41).

What are the key properties of 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide?

4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 613.75 g/mol, XLogP of 4.05, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[3-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]imidazo[1,2-a]pyridin-6-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71282304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).