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-(3-chloro-4-fluorophenyl)-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

C78H83BrClF4N17O4 — CID 159933845

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-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-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 159933845) has the molecular formula C78H83BrClF4N17O4 and a molecular weight of 1513.99 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-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-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: 159933845
• Molecular Formula: C78H83BrClF4N17O4
• Molecular Weight: 1513.99 g/mol
• Exact Mass: 1511.56
• 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-(3-chloro-4-fluorophenyl)-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(Nc1ccc(F)c(Cl)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1
• InChI: InChI=1S/C20H20FN5O.C20H23FN4O.C19H20BrFN4O.C19H20ClFN4O/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;2*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/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);2*3-4,8,11H,1-2,5-7,9-10H2,(H,22,26)(H,23,24)
• InChIKey: NZZHCFQWAOQYBZ-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 267.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1513.99
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

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-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-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 159933845) 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-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-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(Nc1ccc(F)c(Cl)c1)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-(3-chloro-4-fluorophenyl)-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 NZZHCFQWAOQYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O.C20H23FN4O.C19H20BrFN4O.C19H20ClFN4O/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;2*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/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);2*3-4,8,11H,1-2,5-7,9-10H2,(H,22,26)(H,23,24).

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-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-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 1513.99 g/mol, XLogP of 15.92, 8 rotatable bonds, 8 hydrogen bond donors, and 9 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-(3-chloro-4-fluorophenyl)-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 159933845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).