N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C17H14Cl2N4OS — CID 121442808

IUPACN-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3Cl)c2C1
InChIInChI=1S/C17H14Cl2N4OS/c18-10-2-1-3-11(8-10)20-17(24)23-6-4-14-13(9-23)15(22-21-14)12-5-7-25-16(12)19/h1-3,5,7-8H,4,6,9H2,(H,20,24)(H,21,22)
InChIKeyPCPDWFGHYKNXSK-UHFFFAOYSA-N
MW393.30 g/mol
LogP5.04
Rot. Bonds2

About N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442808) has the molecular formula C17H14Cl2N4OS and a molecular weight of 393.30 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442808
Molecular FormulaC17H14Cl2N4OS
Molecular Weight393.30 g/mol
Exact Mass392.03
IUPAC NameN-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3Cl)c2C1
InChIInChI=1S/C17H14Cl2N4OS/c18-10-2-1-3-11(8-10)20-17(24)23-6-4-14-13(9-23)15(22-21-14)12-5-7-25-16(12)19/h1-3,5,7-8H,4,6,9H2,(H,20,24)(H,21,22)
InChIKeyPCPDWFGHYKNXSK-UHFFFAOYSA-N
XLogP5.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.30
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442808) is N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCc2[nH]nc(-c3ccsc3Cl)c2C1.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is PCPDWFGHYKNXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4OS/c18-10-2-1-3-11(8-10)20-17(24)23-6-4-14-13(9-23)15(22-21-14)12-5-7-25-16(12)19/h1-3,5,7-8H,4,6,9H2,(H,20,24)(H,21,22).
What are the key properties of N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 393.30 g/mol, XLogP of 5.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-chlorothiophen-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).