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

C19H19FN4OS — CID 121442882

IUPAC(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(-c4cccs4)n[nH]c3C[C@@H]2C)ccc1F
InChIInChI=1S/C19H19FN4OS/c1-11-8-13(5-6-15(11)20)21-19(25)24-10-14-16(9-12(24)2)22-23-18(14)17-4-3-7-26-17/h3-8,12H,9-10H2,1-2H3,(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyFJTPLKJPXVAAQX-LBPRGKRZSA-N
MW370.45 g/mol
LogP4.56
Rot. Bonds2

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

(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 121442882) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID121442882
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(-c4cccs4)n[nH]c3C[C@@H]2C)ccc1F
InChIInChI=1S/C19H19FN4OS/c1-11-8-13(5-6-15(11)20)21-19(25)24-10-14-16(9-12(24)2)22-23-18(14)17-4-3-7-26-17/h3-8,12H,9-10H2,1-2H3,(H,21,25)(H,22,23)/t12-/m0/s1
InChIKeyFJTPLKJPXVAAQX-LBPRGKRZSA-N
XLogP4.56
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 121442882) is (6S)-N-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(NC(=O)N2Cc3c(-c4cccs4)n[nH]c3C[C@@H]2C)ccc1F.
What is the InChIKey of (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is FJTPLKJPXVAAQX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-11-8-13(5-6-15(11)20)21-19(25)24-10-14-16(9-12(24)2)22-23-18(14)17-4-3-7-26-17/h3-8,12H,9-10H2,1-2H3,(H,21,25)(H,22,23)/t12-/m0/s1.
What are the key properties of (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-thiophen-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 121442882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).