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-(2-chloro-3-fluoro-4-pyridinyl)-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

C76H84Br2ClF2N17O4 — CID 158685828

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-(2-chloro-3-fluoro-4-pyridinyl)-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-(2-chloro-3-fluoro-4-pyridinyl)-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 158685828) has the molecular formula C76H84Br2ClF2N17O4 and a molecular weight of 1532.88 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-(2-chloro-3-fluoro-4-pyridinyl)-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-(2-chloro-3-fluoro-4-pyridinyl)-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: 158685828
• Molecular Formula: C76H84Br2ClF2N17O4
• Molecular Weight: 1532.88 g/mol
• Exact Mass: 1529.49
• 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-(2-chloro-3-fluoro-4-pyridinyl)-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(Nc1cccc(Br)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1cccc(Br)c1F)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1ccnc(Cl)c1F)N1CCc2[nH]nc(C34CCCC3C4)c2C1
• InChI: InChI=1S/C20H24N4O.C19H20BrFN4O.C19H21BrN4O.C18H19ClFN5O/c1-13-4-2-6-15(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;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/h2,4,6,10,14H,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);3,6,10H,1-2,4-5,7-9H2,(H,23,24)(H,21,22,26)
• InChIKey: IFSJTRRPLZSJJY-UHFFFAOYSA-N
• XLogP: 15.93
• TPSA: 256.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.88
LogP ≤ 5	15.93
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 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-(2-chloro-3-fluoro-4-pyridinyl)-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-(2-chloro-3-fluoro-4-pyridinyl)-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 158685828) 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-(2-chloro-3-fluoro-4-pyridinyl)-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-(2-chloro-3-fluoro-4-pyridinyl)-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-(2-chloro-3-fluoro-4-pyridinyl)-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(Nc1cccc(Br)c1)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1cccc(Br)c1F)N1CCc2[nH]nc(C34CCCC3C4)c2C1.O=C(Nc1ccnc(Cl)c1F)N1CCc2[nH]nc(C34CCCC3C4)c2C1.

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-(2-chloro-3-fluoro-4-pyridinyl)-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 IFSJTRRPLZSJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.C19H20BrFN4O.C19H21BrN4O.C18H19ClFN5O/c1-13-4-2-6-15(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;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/h2,4,6,10,14H,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);3,6,10H,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-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-(2-chloro-3-fluoro-4-pyridinyl)-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-(2-chloro-3-fluoro-4-pyridinyl)-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 1532.88 g/mol, XLogP of 15.93, 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-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-(2-chloro-3-fluoro-4-pyridinyl)-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 158685828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).