N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C68H74Br2ClF4N17O4 — CID 161425689

About N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 161425689) has the molecular formula C68H74Br2ClF4N17O4 and a molecular weight of 1464.71 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 161425689
• Molecular Formula: C68H74Br2ClF4N17O4
• Molecular Weight: 1464.71 g/mol
• Exact Mass: 1461.41
• IUPAC Name: N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Cc1cc(NC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)ccc1F.O=C(Nc1ccc(F)c(Br)c1)N1CCc2[nH]nc(C3CCC3)c2C1.O=C(Nc1ccc(F)c(Cl)c1)N1CCc2[nH]nc(C3CCC3)c2C1.O=C(Nc1ccnc(Br)c1F)N1CCc2[nH]nc(C3CCC3)c2C1
• InChI: InChI=1S/C18H21FN4O.C17H18BrFN4O.C17H18ClFN4O.C16H17BrFN5O/c1-11-9-13(5-6-15(11)19)20-18(24)23-8-7-16-14(10-23)17(22-21-16)12-3-2-4-12;2*18-13-8-11(4-5-14(13)19)20-17(24)23-7-6-15-12(9-23)16(22-21-15)10-2-1-3-10;17-15-13(18)12(4-6-19-15)20-16(24)23-7-5-11-10(8-23)14(22-21-11)9-2-1-3-9/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,20,24)(H,21,22);2*4-5,8,10H,1-3,6-7,9H2,(H,20,24)(H,21,22);4,6,9H,1-3,5,7-8H2,(H,21,22)(H,19,20,24)
• InChIKey: VXIDKXMNCOKDBU-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 256.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1464.71
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 161425689) is N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

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

The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(NC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)ccc1F.O=C(Nc1ccc(F)c(Br)c1)N1CCc2[nH]nc(C3CCC3)c2C1.O=C(Nc1ccc(F)c(Cl)c1)N1CCc2[nH]nc(C3CCC3)c2C1.O=C(Nc1ccnc(Br)c1F)N1CCc2[nH]nc(C3CCC3)c2C1.

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

The InChIKey is VXIDKXMNCOKDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O.C17H18BrFN4O.C17H18ClFN4O.C16H17BrFN5O/c1-11-9-13(5-6-15(11)19)20-18(24)23-8-7-16-14(10-23)17(22-21-16)12-3-2-4-12;2*18-13-8-11(4-5-14(13)19)20-17(24)23-7-6-15-12(9-23)16(22-21-15)10-2-1-3-10;17-15-13(18)12(4-6-19-15)20-16(24)23-7-5-11-10(8-23)14(22-21-11)9-2-1-3-9/h5-6,9,12H,2-4,7-8,10H2,1H3,(H,20,24)(H,21,22);2*4-5,8,10H,1-3,6-7,9H2,(H,20,24)(H,21,22);4,6,9H,1-3,5,7-8H2,(H,21,22)(H,19,20,24).

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

N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1464.71 g/mol, XLogP of 15.51, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chloro-4-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 161425689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).