3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C67H77Cl2F6N17O4 — CID 159544458

About 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 159544458) has the molecular formula C67H77Cl2F6N17O4 and a molecular weight of 1369.36 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 159544458
• Molecular Formula: C67H77Cl2F6N17O4
• Molecular Weight: 1369.36 g/mol
• Exact Mass: 1367.56
• IUPAC Name: 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccnc(Cl)c1F)CC2.O=C(Nc1ccc(F)c(F)c1)N1CCc2[nH]nc(C3CCC3)c2C1
• InChI: InChI=1S/C17H20ClFN4O.C17H18F2N4O.C17H20F2N4O.C16H19ClFN5O/c1-17(2,3)15-11-9-23(7-6-14(11)21-22-15)16(24)20-10-4-5-13(19)12(18)8-10;18-13-5-4-11(8-14(13)19)20-17(24)23-7-6-15-12(9-23)16(22-21-15)10-2-1-3-10;1-17(2,3)15-11-9-23(7-6-14(11)21-22-15)16(24)20-10-4-5-12(18)13(19)8-10;1-16(2,3)13-9-8-23(7-5-10(9)21-22-13)15(24)20-11-4-6-19-14(17)12(11)18/h4-5,8H,6-7,9H2,1-3H3,(H,20,24)(H,21,22);4-5,8,10H,1-3,6-7,9H2,(H,20,24)(H,21,22);4-5,8H,6-7,9H2,1-3H3,(H,20,24)(H,21,22);4,6H,5,7-8H2,1-3H3,(H,21,22)(H,19,20,24)
• InChIKey: MEPVIMOCRAKDNM-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 256.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.36
LogP ≤ 5	14.70
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-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 159544458) is 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(Cl)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccc(F)c(F)c1)CC2.CC(C)(C)c1n[nH]c2c1CN(C(=O)Nc1ccnc(Cl)c1F)CC2.O=C(Nc1ccc(F)c(F)c1)N1CCc2[nH]nc(C3CCC3)c2C1.

What is the InChIKey of 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is MEPVIMOCRAKDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4O.C17H18F2N4O.C17H20F2N4O.C16H19ClFN5O/c1-17(2,3)15-11-9-23(7-6-14(11)21-22-15)16(24)20-10-4-5-13(19)12(18)8-10;18-13-5-4-11(8-14(13)19)20-17(24)23-7-6-15-12(9-23)16(22-21-15)10-2-1-3-10;1-17(2,3)15-11-9-23(7-6-14(11)21-22-15)16(24)20-10-4-5-12(18)13(19)8-10;1-16(2,3)13-9-8-23(7-5-10(9)21-22-13)15(24)20-11-4-6-19-14(17)12(11)18/h4-5,8H,6-7,9H2,1-3H3,(H,20,24)(H,21,22);4-5,8,10H,1-3,6-7,9H2,(H,20,24)(H,21,22);4-5,8H,6-7,9H2,1-3H3,(H,20,24)(H,21,22);4,6H,5,7-8H2,1-3H3,(H,21,22)(H,19,20,24).

What are the key properties of 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1369.36 g/mol, XLogP of 14.70, 5 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(2-chloro-3-fluoro-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-tert-butyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;3-cyclobutyl-N-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 159544458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).