6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

C40H30F2N10O — CID 158172983

About 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine

6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (PubChem CID 158172983) has the molecular formula C40H30F2N10O and a molecular weight of 704.75 g/mol. Its IUPAC name is 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
• PubChem CID: 158172983
• Molecular Formula: C40H30F2N10O
• Molecular Weight: 704.75 g/mol
• Exact Mass: 704.26
• IUPAC Name: 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
• SMILES: NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)n[nH]c3C3CC3)cn12.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)n[nH]c3C3CC3)cn12
• InChI: InChI=1S/C20H16FN5O.C20H14FN5/c21-14-6-3-12(4-7-14)19-17(18(24-25-19)11-1-2-11)13-5-8-16-23-9-15(20(22)27)26(16)10-13;1-22-17-10-23-16-9-6-14(11-26(16)17)18-19(12-2-3-12)24-25-20(18)13-4-7-15(21)8-5-13/h3-11H,1-2H2,(H2,22,27)(H,24,25);4-12H,2-3H2,(H,24,25)
• InChIKey: FXRJXHASPMDMDM-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 139.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.75
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?

The IUPAC name of 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine (CID 158172983) is 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine.

What is the SMILES notation for 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?

The canonical SMILES for 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)n[nH]c3C3CC3)cn12.[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)n[nH]c3C3CC3)cn12.

What is the InChIKey of 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?

The InChIKey is FXRJXHASPMDMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O.C20H14FN5/c21-14-6-3-12(4-7-14)19-17(18(24-25-19)11-1-2-11)13-5-8-16-23-9-15(20(22)27)26(16)10-13;1-22-17-10-23-16-9-6-14(11-26(16)17)18-19(12-2-3-12)24-25-20(18)13-4-7-15(21)8-5-13/h3-11H,1-2H2,(H2,22,27)(H,24,25);4-12H,2-3H2,(H,24,25).

What are the key properties of 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine?

6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine has a molecular weight of 704.75 g/mol, XLogP of 8.47, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-cyclopropyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine is sourced from PubChem (CID 158172983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).