N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide

C20H22N6O2S — CID 97361988

About N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide

N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 97361988) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 97361988
• Molecular Formula: C20H22N6O2S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.15
• IUPAC Name: N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide
• SMILES: COCCCNC(=O)c1nc(-c2cn(Cc3csc(C)n3)cn2)n2ccccc12
• InChI: InChI=1S/C20H22N6O2S/c1-14-23-15(12-29-14)10-25-11-16(22-13-25)19-24-18(17-6-3-4-8-26(17)19)20(27)21-7-5-9-28-2/h3-4,6,8,11-13H,5,7,9-10H2,1-2H3,(H,21,27)
• InChIKey: KNLPCBVLGOMHIW-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide (CID 97361988) is N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide is COCCCNC(=O)c1nc(-c2cn(Cc3csc(C)n3)cn2)n2ccccc12.

What is the InChIKey of N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is KNLPCBVLGOMHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-14-23-15(12-29-14)10-25-11-16(22-13-25)19-24-18(17-6-3-4-8-26(17)19)20(27)21-7-5-9-28-2/h3-4,6,8,11-13H,5,7,9-10H2,1-2H3,(H,21,27).

What are the key properties of N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide?

N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-3-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 97361988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).