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

C18H18FN5OS — CID 162661867

IUPAC(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3C[C@@H]2C)ccc1F
InChIInChI=1S/C18H18FN5OS/c1-10-5-12(3-4-14(10)19)21-18(25)24-7-13-15(6-11(24)2)22-23-17(13)16-8-26-9-20-16/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,25)(H,22,23)/t11-/m0/s1
InChIKeyXJSSVLYCDLRQQK-NSHDSACASA-N
MW371.44 g/mol
LogP3.96
Rot. Bonds2

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

(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 162661867) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is (6S)-N-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID162661867
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1cc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3C[C@@H]2C)ccc1F
InChIInChI=1S/C18H18FN5OS/c1-10-5-12(3-4-14(10)19)21-18(25)24-7-13-15(6-11(24)2)22-23-17(13)16-8-26-9-20-16/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,25)(H,22,23)/t11-/m0/s1
InChIKeyXJSSVLYCDLRQQK-NSHDSACASA-N
XLogP3.96
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 162661867) is (6S)-N-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-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-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is Cc1cc(NC(=O)N2Cc3c(-c4cscn4)n[nH]c3C[C@@H]2C)ccc1F.
What is the InChIKey of (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is XJSSVLYCDLRQQK-NSHDSACASA-N. The full InChI is InChI=1S/C18H18FN5OS/c1-10-5-12(3-4-14(10)19)21-18(25)24-7-13-15(6-11(24)2)22-23-17(13)16-8-26-9-20-16/h3-5,8-9,11H,6-7H2,1-2H3,(H,21,25)(H,22,23)/t11-/m0/s1.
What are the key properties of (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
(6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(4-fluoro-3-methylphenyl)-6-methyl-3-(1,3-thiazol-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 162661867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).