3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

C17H21FN6O2 — CID 77086569

About 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide

3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 77086569) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 77086569
• Molecular Formula: C17H21FN6O2
• Molecular Weight: 360.39 g/mol
• Exact Mass: 360.17
• IUPAC Name: 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: COCCCn1cnnc1C(C)NC(=O)c1nc2cc(C)ccn2c1F
• InChI: InChI=1S/C17H21FN6O2/c1-11-5-7-24-13(9-11)21-14(15(24)18)17(25)20-12(2)16-22-19-10-23(16)6-4-8-26-3/h5,7,9-10,12H,4,6,8H2,1-3H3,(H,20,25)
• InChIKey: MLINPYKCCZOSDI-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 86.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.39
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 77086569) is 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide is COCCCn1cnnc1C(C)NC(=O)c1nc2cc(C)ccn2c1F.

What is the InChIKey of 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is MLINPYKCCZOSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-11-5-7-24-13(9-11)21-14(15(24)18)17(25)20-12(2)16-22-19-10-23(16)6-4-8-26-3/h5,7,9-10,12H,4,6,8H2,1-3H3,(H,20,25).

What are the key properties of 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide?

3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 77086569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).