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

C97H105Br2ClF3N21O5 — CID 157210461

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

3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157210461) has the molecular formula C97H105Br2ClF3N21O5 and a molecular weight of 1897.30 g/mol. Its IUPAC name is 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(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-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 157210461
• Molecular Formula: C97H105Br2ClF3N21O5
• Molecular Weight: 1897.30 g/mol
• Exact Mass: 1893.66
• IUPAC Name: 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Cc1cccc(NC(=O)N2CCc3[nH]nc(C45CCCC4C5)c3C2)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1cccc(Br)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1cccc(Br)c1F)N1CCc2[nH]nc(C34CCCC3C4)c2C1.[C-]#[N+]c1cccc(NC(=O)N2CCc3[nH]nc(C45CCCC4C5)c3C2)c1F
• InChI: InChI=1S/C20H20FN5O.C20H24N4O.C19H20BrFN4O.C19H21BrN4O.C19H20ClFN4O/c1-22-15-5-2-6-16(17(15)21)23-19(27)26-9-7-14-13(11-26)18(25-24-14)20-8-3-4-12(20)10-20;1-13-4-2-6-15(10-13)21-19(25)24-9-7-17-16(12-24)18(23-22-17)20-8-3-5-14(20)11-20;20-13-4-1-5-15(16(13)21)22-18(26)25-8-6-14-12(10-25)17(24-23-14)19-7-2-3-11(19)9-19;20-13-4-1-5-14(9-13)21-18(25)24-8-6-16-15(11-24)17(23-22-16)19-7-2-3-12(19)10-19;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/h2,5-6,12H,3-4,7-11H2,(H,23,27)(H,24,25);2,4,6,10,14H,3,5,7-9,11-12H2,1H3,(H,21,25)(H,22,23);1,4-5,11H,2-3,6-10H2,(H,22,26)(H,23,24);1,4-5,9,12H,2-3,6-8,10-11H2,(H,21,25)(H,22,23);3-4,8,11H,1-2,5-7,9-10H2,(H,22,26)(H,23,24)
• InChIKey: ARVHQIIQIVSCFH-UHFFFAOYSA-N
• XLogP: 20.66
• TPSA: 309.46 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1897.30
LogP ≤ 5	20.66
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(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-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 157210461) is 3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(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-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(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-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cccc(NC(=O)N2CCc3[nH]nc(C45CCCC4C5)c3C2)c1.O=C(Nc1ccc(F)c(Cl)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1cccc(Br)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1cccc(Br)c1F)N1CCc2[nH]nc(C34CCCC3C4)c2C1.[C-]#[N+]c1cccc(NC(=O)N2CCc3[nH]nc(C45CCCC4C5)c3C2)c1F.

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

The InChIKey is ARVHQIIQIVSCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O.C20H24N4O.C19H20BrFN4O.C19H21BrN4O.C19H20ClFN4O/c1-22-15-5-2-6-16(17(15)21)23-19(27)26-9-7-14-13(11-26)18(25-24-14)20-8-3-4-12(20)10-20;1-13-4-2-6-15(10-13)21-19(25)24-9-7-17-16(12-24)18(23-22-17)20-8-3-5-14(20)11-20;20-13-4-1-5-15(16(13)21)22-18(26)25-8-6-14-12(10-25)17(24-23-14)19-7-2-3-11(19)9-19;20-13-4-1-5-14(9-13)21-18(25)24-8-6-16-15(11-24)17(23-22-16)19-7-2-3-12(19)10-19;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/h2,5-6,12H,3-4,7-11H2,(H,23,27)(H,24,25);2,4,6,10,14H,3,5,7-9,11-12H2,1H3,(H,21,25)(H,22,23);1,4-5,11H,2-3,6-10H2,(H,22,26)(H,23,24);1,4-5,9,12H,2-3,6-8,10-11H2,(H,21,25)(H,22,23);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-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromo-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1897.30 g/mol, XLogP of 20.66, 10 rotatable bonds, 10 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-2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-bromophenyl)-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-(2-fluoro-3-isocyanophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-(1-bicyclo[3.1.0]hexanyl)-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157210461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).