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

C19H20N4OS — CID 121442881

IUPAC(6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)N2Cc3c(-c4cccs4)n[nH]c3C[C@@H]2C)c1
InChIInChI=1S/C19H20N4OS/c1-12-5-3-6-14(9-12)20-19(24)23-11-15-16(10-13(23)2)21-22-18(15)17-7-4-8-25-17/h3-9,13H,10-11H2,1-2H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyIBZRMSXMKDBAPA-ZDUSSCGKSA-N
MW352.46 g/mol
LogP4.43
Rot. Bonds2

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

(6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442881) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442881
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name(6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cccc(NC(=O)N2Cc3c(-c4cccs4)n[nH]c3C[C@@H]2C)c1
InChIInChI=1S/C19H20N4OS/c1-12-5-3-6-14(9-12)20-19(24)23-11-15-16(10-13(23)2)21-22-18(15)17-7-4-8-25-17/h3-9,13H,10-11H2,1-2H3,(H,20,24)(H,21,22)/t13-/m0/s1
InChIKeyIBZRMSXMKDBAPA-ZDUSSCGKSA-N
XLogP4.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442881) is (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cccc(NC(=O)N2Cc3c(-c4cccs4)n[nH]c3C[C@@H]2C)c1.
What is the InChIKey of (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is IBZRMSXMKDBAPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-12-5-3-6-14(9-12)20-19(24)23-11-15-16(10-13(23)2)21-22-18(15)17-7-4-8-25-17/h3-9,13H,10-11H2,1-2H3,(H,20,24)(H,21,22)/t13-/m0/s1.
What are the key properties of (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-N-(3-methylphenyl)-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).