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

C85H92BrCl3F5N21O6 — CID 159179792

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

N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159179792) has the molecular formula C85H92BrCl3F5N21O6 and a molecular weight of 1785.06 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 159179792
• Molecular Formula: C85H92BrCl3F5N21O6
• Molecular Weight: 1785.06 g/mol
• Exact Mass: 1781.57
• IUPAC Name: N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Cc1cccc(NC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)c1.O=C(Nc1cccc(Br)c1F)N1CCc2[nH]nc(C3CCC3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3(C(F)(F)F)CC3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CCOC3)c2C1.O=C(Nc1ccnc(Cl)c1F)N1CCc2[nH]nc(C3CCC3)c2C1
• InChI: InChI=1S/C18H22N4O.C17H18BrFN4O.C17H16ClF3N4O.C17H19ClN4O2.C16H17ClFN5O/c1-12-4-2-7-14(10-12)19-18(23)22-9-8-16-15(11-22)17(21-20-16)13-5-3-6-13;18-12-5-2-6-14(15(12)19)20-17(24)23-8-7-13-11(9-23)16(22-21-13)10-3-1-4-10;18-10-2-1-3-11(8-10)22-15(26)25-7-4-13-12(9-25)14(24-23-13)16(5-6-16)17(19,20)21;18-12-2-1-3-13(8-12)19-17(23)22-6-4-15-14(9-22)16(21-20-15)11-5-7-24-10-11;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/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,19,23)(H,20,21);2,5-6,10H,1,3-4,7-9H2,(H,20,24)(H,21,22);1-3,8H,4-7,9H2,(H,22,26)(H,23,24);1-3,8,11H,4-7,9-10H2,(H,19,23)(H,20,21);4,6,9H,1-3,5,7-8H2,(H,21,22)(H,19,20,24)
• InChIKey: KMSYDDMVXLRPHR-UHFFFAOYSA-N
• XLogP: 18.60
• TPSA: 327.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1785.06
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	12

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-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 159179792) is N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

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

The canonical SMILES for N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cccc(NC(=O)N2CCc3[nH]nc(C4CCC4)c3C2)c1.O=C(Nc1cccc(Br)c1F)N1CCc2[nH]nc(C3CCC3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3(C(F)(F)F)CC3)c2C1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(C3CCOC3)c2C1.O=C(Nc1ccnc(Cl)c1F)N1CCc2[nH]nc(C3CCC3)c2C1.

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

The InChIKey is KMSYDDMVXLRPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.C17H18BrFN4O.C17H16ClF3N4O.C17H19ClN4O2.C16H17ClFN5O/c1-12-4-2-7-14(10-12)19-18(23)22-9-8-16-15(11-22)17(21-20-16)13-5-3-6-13;18-12-5-2-6-14(15(12)19)20-17(24)23-8-7-13-11(9-23)16(22-21-13)10-3-1-4-10;18-10-2-1-3-11(8-10)22-15(26)25-7-4-13-12(9-25)14(24-23-13)16(5-6-16)17(19,20)21;18-12-2-1-3-13(8-12)19-17(23)22-6-4-15-14(9-22)16(21-20-15)11-5-7-24-10-11;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/h2,4,7,10,13H,3,5-6,8-9,11H2,1H3,(H,19,23)(H,20,21);2,5-6,10H,1,3-4,7-9H2,(H,20,24)(H,21,22);1-3,8H,4-7,9H2,(H,22,26)(H,23,24);1-3,8,11H,4-7,9-10H2,(H,19,23)(H,20,21);4,6,9H,1-3,5,7-8H2,(H,21,22)(H,19,20,24).

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

N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1785.06 g/mol, XLogP of 18.60, 10 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-2-fluorophenyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-chloro-3-fluoro-4-pyridinyl)-3-cyclobutyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159179792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).