N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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

C53H52ClFN16O3S2 — CID 158954529

About N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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 158954529) has the molecular formula C53H52ClFN16O3S2 and a molecular weight of 1079.69 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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: 158954529
• Molecular Formula: C53H52ClFN16O3S2
• Molecular Weight: 1079.69 g/mol
• Exact Mass: 1078.35
• IUPAC Name: N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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: Cc1cc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3CC2C)ccc1F.Cc1cccc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3CC2C)c1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccnn3)c2C1
• InChI: InChI=1S/C18H18FN5OS.C18H19N5OS.C17H15ClN6O/c1-10-5-12(3-4-14(10)19)21-18(25)24-7-13-15(6-11(24)2)22-23-17(13)16-8-26-9-20-16;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;18-11-3-1-4-12(9-11)20-17(25)24-8-6-14-13(10-24)16(23-22-14)15-5-2-7-19-21-15/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,25)(H,22,23);3-6,9-10,12H,7-8H2,1-2H3,(H,20,24)(H,21,22);1-5,7,9H,6,8,10H2,(H,20,25)(H,22,23)
• InChIKey: JLVMQUZZEGDLMK-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 234.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1079.69
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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 158954529) is N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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 Cc1cc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3CC2C)ccc1F.Cc1cccc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3CC2C)c1.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3cccnn3)c2C1.

What is the InChIKey of N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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 JLVMQUZZEGDLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS.C18H19N5OS.C17H15ClN6O/c1-10-5-12(3-4-14(10)19)21-18(25)24-7-13-15(6-11(24)2)22-23-17(13)16-8-26-9-20-16;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;18-11-3-1-4-12(9-11)20-17(25)24-8-6-14-13(10-24)16(23-22-14)15-5-2-7-19-21-15/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,25)(H,22,23);3-6,9-10,12H,7-8H2,1-2H3,(H,20,24)(H,21,22);1-5,7,9H,6,8,10H2,(H,20,25)(H,22,23).

What are the key properties of N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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 1079.69 g/mol, XLogP of 10.89, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-3-pyridazin-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(4-fluoro-3-methylphenyl)-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 158954529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).