N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C54H48Cl3N13O4S3 — CID 157364820

About N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157364820) has the molecular formula C54H48Cl3N13O4S3 and a molecular weight of 1145.62 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 157364820
• Molecular Formula: C54H48Cl3N13O4S3
• Molecular Weight: 1145.62 g/mol
• Exact Mass: 1143.22
• IUPAC Name: N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: Cc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.N#Cc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccc(CO)s3)c2C1
• InChI: InChI=1S/C18H14ClN5OS.C18H17ClN4O2S.C18H17ClN4OS/c19-11-2-1-3-12(8-11)21-18(25)24-6-4-15-14(10-24)17(23-22-15)13-5-7-26-16(13)9-20;19-11-2-1-3-12(8-11)20-18(25)23-7-6-15-14(9-23)17(22-21-15)16-5-4-13(10-24)26-16;1-11-14(6-8-25-11)17-15-10-23(7-5-16(15)21-22-17)18(24)20-13-4-2-3-12(19)9-13/h1-3,5,7-8H,4,6,10H2,(H,21,25)(H,22,23);1-5,8,24H,6-7,9-10H2,(H,20,25)(H,21,22);2-4,6,8-9H,5,7,10H2,1H3,(H,20,24)(H,21,22)
• InChIKey: BJBCZBUAUREFQN-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 227.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1145.62
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 157364820) is N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.N#Cc1sccc1-c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccc(CO)s3)c2C1.

What is the InChIKey of N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is BJBCZBUAUREFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5OS.C18H17ClN4O2S.C18H17ClN4OS/c19-11-2-1-3-12(8-11)21-18(25)24-6-4-15-14(10-24)17(23-22-15)13-5-7-26-16(13)9-20;19-11-2-1-3-12(8-11)20-18(25)23-7-6-15-14(9-23)17(22-21-15)16-5-4-13(10-24)26-16;1-11-14(6-8-25-11)17-15-10-23(7-5-16(15)21-22-17)18(24)20-13-4-2-3-12(19)9-13/h1-3,5,7-8H,4,6,10H2,(H,21,25)(H,22,23);1-5,8,24H,6-7,9-10H2,(H,20,25)(H,21,22);2-4,6,8-9H,5,7,10H2,1H3,(H,20,24)(H,21,22).

What are the key properties of N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?

N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1145.62 g/mol, XLogP of 12.82, 7 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-3-(2-cyanothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-[5-(hydroxymethyl)thiophen-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide;N-(3-chlorophenyl)-3-(2-methylthiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157364820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).