N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C57H47Cl3F2N14O3 — CID 157436146

About N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157436146) has the molecular formula C57H47Cl3F2N14O3 and a molecular weight of 1120.45 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 157436146
• Molecular Formula: C57H47Cl3F2N14O3
• Molecular Weight: 1120.45 g/mol
• Exact Mass: 1118.30
• IUPAC Name: N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: N#Cc1cc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)ccc1F.O=C(Nc1cc(Cl)ccc1F)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cnc(Cl)c(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1
• InChI: InChI=1S/C20H16FN5O.C19H16ClFN4O.C18H15Cl2N5O/c21-17-7-6-15(10-14(17)11-22)23-20(27)26-9-8-18-16(12-26)19(25-24-18)13-4-2-1-3-5-13;20-13-6-7-15(21)17(10-13)22-19(26)25-9-8-16-14(11-25)18(24-23-16)12-4-2-1-3-5-12;19-14-8-12(9-21-17(14)20)22-18(26)25-7-6-15-13(10-25)16(24-23-15)11-4-2-1-3-5-11/h1-7,10H,8-9,12H2,(H,23,27)(H,24,25);1-7,10H,8-9,11H2,(H,22,26)(H,23,24);1-5,8-9H,6-7,10H2,(H,22,26)(H,23,24)
• InChIKey: BRCVUUBYMPBQAG-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 219.74 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1120.45
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 157436146) is N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is N#Cc1cc(NC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)ccc1F.O=C(Nc1cc(Cl)ccc1F)N1CCc2[nH]nc(-c3ccccc3)c2C1.O=C(Nc1cnc(Cl)c(Cl)c1)N1CCc2[nH]nc(-c3ccccc3)c2C1.

What is the InChIKey of N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is BRCVUUBYMPBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O.C19H16ClFN4O.C18H15Cl2N5O/c21-17-7-6-15(10-14(17)11-22)23-20(27)26-9-8-18-16(12-26)19(25-24-18)13-4-2-1-3-5-13;20-13-6-7-15(21)17(10-13)22-19(26)25-9-8-16-14(11-25)18(24-23-16)12-4-2-1-3-5-12;19-14-8-12(9-21-17(14)20)22-18(26)25-7-6-15-13(10-25)16(24-23-15)11-4-2-1-3-5-11/h1-7,10H,8-9,12H2,(H,23,27)(H,24,25);1-7,10H,8-9,11H2,(H,22,26)(H,23,24);1-5,8-9H,6-7,10H2,(H,22,26)(H,23,24).

What are the key properties of N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1120.45 g/mol, XLogP of 12.51, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(5,6-dichloro-3-pyridinyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157436146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).