3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C77H82Br2F4N18O4 — CID 157278993

About 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157278993) has the molecular formula C77H82Br2F4N18O4 and a molecular weight of 1559.42 g/mol. Its IUPAC name is 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 157278993
• Molecular Formula: C77H82Br2F4N18O4
• Molecular Weight: 1559.42 g/mol
• Exact Mass: 1556.51
• IUPAC Name: 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Cc1cc(NC(=O)N2CCc3[nH]nc(C45CCCC4C5)c3C2)ccc1F.N#Cc1cc(NC(=O)N2CCc3[nH]nc(C45CCCC4C5)c3C2)ccc1F.O=C(Nc1ccc(F)c(Br)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1ccnc(Br)c1F)N1CCc2[nH]nc(C34CCCC3C4)c2C1
• InChI: InChI=1S/C20H20FN5O.C20H23FN4O.C19H20BrFN4O.C18H19BrFN5O/c21-16-4-3-14(8-12(16)10-22)23-19(27)26-7-5-17-15(11-26)18(25-24-17)20-6-1-2-13(20)9-20;1-12-9-14(4-5-16(12)21)22-19(26)25-8-6-17-15(11-25)18(24-23-17)20-7-2-3-13(20)10-20;20-14-8-12(3-4-15(14)21)22-18(26)25-7-5-16-13(10-25)17(24-23-16)19-6-1-2-11(19)9-19;19-16-14(20)13(3-6-21-16)22-17(26)25-7-4-12-11(9-25)15(24-23-12)18-5-1-2-10(18)8-18/h3-4,8,13H,1-2,5-7,9,11H2,(H,23,27)(H,24,25);4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,22,26)(H,23,24);3-4,8,11H,1-2,5-7,9-10H2,(H,22,26)(H,23,24);3,6,10H,1-2,4-5,7-9H2,(H,23,24)(H,21,22,26)
• InChIKey: AZLBPWGDXBPIER-UHFFFAOYSA-N
• XLogP: 15.42
• TPSA: 280.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.42
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 157278993) is 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(NC(=O)N2CCc3[nH]nc(C45CCCC4C5)c3C2)ccc1F.N#Cc1cc(NC(=O)N2CCc3[nH]nc(C45CCCC4C5)c3C2)ccc1F.O=C(Nc1ccc(F)c(Br)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1ccnc(Br)c1F)N1CCc2[nH]nc(C34CCCC3C4)c2C1.

What is the InChIKey of 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is AZLBPWGDXBPIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O.C20H23FN4O.C19H20BrFN4O.C18H19BrFN5O/c21-16-4-3-14(8-12(16)10-22)23-19(27)26-7-5-17-15(11-26)18(25-24-17)20-6-1-2-13(20)9-20;1-12-9-14(4-5-16(12)21)22-19(26)25-8-6-17-15(11-25)18(24-23-17)20-7-2-3-13(20)10-20;20-14-8-12(3-4-15(14)21)22-18(26)25-7-5-16-13(10-25)17(24-23-16)19-6-1-2-11(19)9-19;19-16-14(20)13(3-6-21-16)22-17(26)25-7-4-12-11(9-25)15(24-23-12)18-5-1-2-10(18)8-18/h3-4,8,13H,1-2,5-7,9,11H2,(H,23,27)(H,24,25);4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,22,26)(H,23,24);3-4,8,11H,1-2,5-7,9-10H2,(H,22,26)(H,23,24);3,6,10H,1-2,4-5,7-9H2,(H,23,24)(H,21,22,26).

What are the key properties of 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1559.42 g/mol, XLogP of 15.42, 8 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(2-bromo-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-cyano-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(4-fluoro-3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157278993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).