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

C18H17ClN4OS — CID 121435123

IUPAC(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4OS/c1-11-8-15-14(17(22-21-15)16-6-3-7-25-16)10-23(11)18(24)20-13-5-2-4-12(19)9-13/h2-7,9,11H,8,10H2,1H3,(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyFVLQZROPPVMISZ-NSHDSACASA-N
MW372.88 g/mol
LogP4.77
Rot. Bonds2

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

(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121435123) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121435123
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4OS/c1-11-8-15-14(17(22-21-15)16-6-3-7-25-16)10-23(11)18(24)20-13-5-2-4-12(19)9-13/h2-7,9,11H,8,10H2,1H3,(H,20,24)(H,21,22)/t11-/m0/s1
InChIKeyFVLQZROPPVMISZ-NSHDSACASA-N
XLogP4.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-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 (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121435123) is (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is C[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is FVLQZROPPVMISZ-NSHDSACASA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-11-8-15-14(17(22-21-15)16-6-3-7-25-16)10-23(11)18(24)20-13-5-2-4-12(19)9-13/h2-7,9,11H,8,10H2,1H3,(H,20,24)(H,21,22)/t11-/m0/s1.
What are the key properties of (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chlorophenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121435123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).