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

C18H17ClN4OS — CID 121442871

IUPAC(6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4OS/c1-11-7-16-15(17(22-21-16)12-5-6-25-10-12)9-23(11)18(24)20-14-4-2-3-13(19)8-14/h2-6,8,10-11H,7,9H2,1H3,(H,20,24)(H,21,22)/t11-/m1/s1
InChIKeyYOEDOGVSILFSCP-LLVKDONJSA-N
MW372.88 g/mol
LogP4.77
Rot. Bonds2

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

(6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442871) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442871
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name(6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESC[C@@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C18H17ClN4OS/c1-11-7-16-15(17(22-21-16)12-5-6-25-10-12)9-23(11)18(24)20-14-4-2-3-13(19)8-14/h2-6,8,10-11H,7,9H2,1H3,(H,20,24)(H,21,22)/t11-/m1/s1
InChIKeyYOEDOGVSILFSCP-LLVKDONJSA-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

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Frequently Asked Questions

What is the IUPAC name of (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442871) is (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is C[C@@H]1Cc2[nH]nc(-c3ccsc3)c2CN1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is YOEDOGVSILFSCP-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c1-11-7-16-15(17(22-21-16)12-5-6-25-10-12)9-23(11)18(24)20-14-4-2-3-13(19)8-14/h2-6,8,10-11H,7,9H2,1H3,(H,20,24)(H,21,22)/t11-/m1/s1.
What are the key properties of (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-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 (6R)-N-(3-chlorophenyl)-6-methyl-3-thiophen-3-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).