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

C17H17ClN6O — CID 162656859

IUPACN-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1cnc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)c1
InChIInChI=1S/C17H17ClN6O/c1-23-9-15(19-10-23)16-13-8-24(6-5-14(13)21-22-16)17(25)20-12-4-2-3-11(18)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,25)(H,21,22)
InChIKeyGTVPFLNHGFLTPF-UHFFFAOYSA-N
MW356.82 g/mol
LogP3.05
Rot. Bonds2

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

N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162656859) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162656859
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCn1cnc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)c1
InChIInChI=1S/C17H17ClN6O/c1-23-9-15(19-10-23)16-13-8-24(6-5-14(13)21-22-16)17(25)20-12-4-2-3-11(18)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,25)(H,21,22)
InChIKeyGTVPFLNHGFLTPF-UHFFFAOYSA-N
XLogP3.05
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-3-(1-methylimidazol-4-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-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162656859) is N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cn1cnc(-c2n[nH]c3c2CN(C(=O)Nc2cccc(Cl)c2)CC3)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is GTVPFLNHGFLTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-23-9-15(19-10-23)16-13-8-24(6-5-14(13)21-22-16)17(25)20-12-4-2-3-11(18)7-12/h2-4,7,9-10H,5-6,8H2,1H3,(H,20,25)(H,21,22).
What are the key properties of N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 356.82 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(1-methylimidazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162656859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).