N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C86H78Br3F4N27O5S5 — CID 158863013

About N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 158863013) has the molecular formula C86H78Br3F4N27O5S5 and a molecular weight of 2045.79 g/mol. Its IUPAC name is N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 158863013
• Molecular Formula: C86H78Br3F4N27O5S5
• Molecular Weight: 2045.79 g/mol
• Exact Mass: 2041.28
• IUPAC Name: N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CC1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccc(F)c(Br)c1.CC1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.CC1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1cccc(Br)c1F.CC1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccnc(Br)c1F.Cc1cccc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3CC2C)c1
• InChI: InChI=1S/C18H15FN6OS.C18H19N5OS.2C17H15BrFN5OS.C16H14BrFN6OS/c1-10-4-15-13(17(24-23-15)16-8-27-9-21-16)7-25(10)18(26)22-12-2-3-14(19)11(5-12)6-20;1-11-4-3-5-13(6-11)20-18(24)23-8-14-15(7-12(23)2)21-22-17(14)16-9-25-10-19-16;1-9-4-14-11(16(23-22-14)15-7-26-8-20-15)6-24(9)17(25)21-10-2-3-13(19)12(18)5-10;1-9-5-13-10(16(23-22-13)14-7-26-8-20-14)6-24(9)17(25)21-12-4-2-3-11(18)15(12)19;1-8-4-11-9(14(23-22-11)12-6-26-7-20-12)5-24(8)16(25)21-10-2-3-19-15(17)13(10)18/h2-3,5,8-10H,4,7H2,1H3,(H,22,26)(H,23,24);3-6,9-10,12H,7-8H2,1-2H3,(H,20,24)(H,21,22);2-3,5,7-9H,4,6H2,1H3,(H,21,25)(H,22,23);2-4,7-9H,5-6H2,1H3,(H,21,25)(H,22,23);2-3,6-8H,4-5H2,1H3,(H,22,23)(H,19,21,25)
• InChIKey: JAWNTMPXGHHBRD-UHFFFAOYSA-N
• XLogP: 19.98
• TPSA: 406.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2045.79
LogP ≤ 5	19.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

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)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 158863013) is N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is CC1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccc(F)c(Br)c1.CC1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccc(F)c(C#N)c1.CC1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1cccc(Br)c1F.CC1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1ccnc(Br)c1F.Cc1cccc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3CC2C)c1.

What is the InChIKey of N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is JAWNTMPXGHHBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6OS.C18H19N5OS.2C17H15BrFN5OS.C16H14BrFN6OS/c1-10-4-15-13(17(24-23-15)16-8-27-9-21-16)7-25(10)18(26)22-12-2-3-14(19)11(5-12)6-20;1-11-4-3-5-13(6-11)20-18(24)23-8-14-15(7-12(23)2)21-22-17(14)16-9-25-10-19-16;1-9-4-14-11(16(23-22-14)15-7-26-8-20-15)6-24(9)17(25)21-10-2-3-13(19)12(18)5-10;1-9-5-13-10(16(23-22-13)14-7-26-8-20-14)6-24(9)17(25)21-12-4-2-3-11(18)15(12)19;1-8-4-11-9(14(23-22-11)12-6-26-7-20-12)5-24(8)16(25)21-10-2-3-19-15(17)13(10)18/h2-3,5,8-10H,4,7H2,1H3,(H,22,26)(H,23,24);3-6,9-10,12H,7-8H2,1-2H3,(H,20,24)(H,21,22);2-3,5,7-9H,4,6H2,1H3,(H,21,25)(H,22,23);2-4,7-9H,5-6H2,1H3,(H,21,25)(H,22,23);2-3,6-8H,4-5H2,1H3,(H,22,23)(H,19,21,25).

What are the key properties of N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 2045.79 g/mol, XLogP of 19.98, 10 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-bromo-2-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-bromo-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(2-bromo-3-fluoro-4-pyridinyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-cyano-4-fluorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;6-methyl-N-(3-methylphenyl)-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 158863013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).