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

C20H19ClN4O — CID 162672330

IUPAC(6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O/c1-13-10-18-17(19(24-23-18)14-6-3-2-4-7-14)12-25(13)20(26)22-16-9-5-8-15(21)11-16/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyYRPGMYKVSXJQEM-ZDUSSCGKSA-N
MW366.85 g/mol
LogP4.71
Rot. Bonds2

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

(6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162672330) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162672330
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name(6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@H]1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C20H19ClN4O/c1-13-10-18-17(19(24-23-18)14-6-3-2-4-7-14)12-25(13)20(26)22-16-9-5-8-15(21)11-16/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1
InChIKeyYRPGMYKVSXJQEM-ZDUSSCGKSA-N
XLogP4.71
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162672330) is (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is C[C@H]1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YRPGMYKVSXJQEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-10-18-17(19(24-23-18)14-6-3-2-4-7-14)12-25(13)20(26)22-16-9-5-8-15(21)11-16/h2-9,11,13H,10,12H2,1H3,(H,22,26)(H,23,24)/t13-/m0/s1.
What are the key properties of (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(3-chlorophenyl)-6-methyl-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162672330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).