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

C17H16ClN5OS — CID 162655207

IUPAC(6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN5OS/c1-10-5-14-13(16(22-21-14)15-8-25-9-19-15)7-23(10)17(24)20-12-4-2-3-11(18)6-12/h2-4,6,8-10H,5,7H2,1H3,(H,20,24)(H,21,22)/t10-/m0/s1
InChIKeyQMCJDGYFVFEQDB-JTQLQIEISA-N
MW373.87 g/mol
LogP4.17
Rot. Bonds2

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

(6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162655207) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is (6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162655207
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC Name(6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H16ClN5OS/c1-10-5-14-13(16(22-21-14)15-8-25-9-19-15)7-23(10)17(24)20-12-4-2-3-11(18)6-12/h2-4,6,8-10H,5,7H2,1H3,(H,20,24)(H,21,22)/t10-/m0/s1
InChIKeyQMCJDGYFVFEQDB-JTQLQIEISA-N
XLogP4.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162655207) is (6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-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-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is C[C@H]1Cc2[nH]nc(-c3cscn3)c2CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is QMCJDGYFVFEQDB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-10-5-14-13(16(22-21-14)15-8-25-9-19-15)7-23(10)17(24)20-12-4-2-3-11(18)6-12/h2-4,6,8-10H,5,7H2,1H3,(H,20,24)(H,21,22)/t10-/m0/s1.
What are the key properties of (6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chlorophenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162655207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).