4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C21H18F3N7OS — CID 90383101

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)NC1CCn2nc(-c3ccccc3F)nc2C1
InChIInChI=1S/C21H18F3N7OS/c1-30-17(13(9-25-30)21-27-15(10-33-21)18(23)24)20(32)26-11-6-7-31-16(8-11)28-19(29-31)12-4-2-3-5-14(12)22/h2-5,9-11,18H,6-8H2,1H3,(H,26,32)
InChIKeyHSDXJHNOIBQTFV-UHFFFAOYSA-N
MW473.48 g/mol
LogP3.62
Rot. Bonds5

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383101) has the molecular formula C21H18F3N7OS and a molecular weight of 473.48 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383101
Molecular FormulaC21H18F3N7OS
Molecular Weight473.48 g/mol
Exact Mass473.12
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)NC1CCn2nc(-c3ccccc3F)nc2C1
InChIInChI=1S/C21H18F3N7OS/c1-30-17(13(9-25-30)21-27-15(10-33-21)18(23)24)20(32)26-11-6-7-31-16(8-11)28-19(29-31)12-4-2-3-5-14(12)22/h2-5,9-11,18H,6-8H2,1H3,(H,26,32)
InChIKeyHSDXJHNOIBQTFV-UHFFFAOYSA-N
XLogP3.62
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide with MolForge

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Related Compounds

1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-[4-[(dimethylamino)methyl]-3-methylpyrazol-1-yl]ethanone
CID 117739228
4-N-[(4-cyano-1,3-thiazol-2-yl)methyl]-1-methyl-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469617
1-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 53469815
5-Thiophen-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (1,3-dimethyl-1H-pyrazol-4-ylmethyl)-amide
CID 645855
5-(5-ethylthiophen-2-yl)-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 999629
5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
US10100058, Example 36
CID 134539804
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 74983215
7-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-[[(1S,2S)-2-quinolin-2-ylcyclopropyl]methyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 89586111
N-(6-(1-(1-(2-aminoacetyl)azetidin-3-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-4-methyl-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 90246042
2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(thiazole-4-carbonyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538673
US10030027, Example 241A
CID 129242860

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383101) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)NC1CCn2nc(-c3ccccc3F)nc2C1.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is HSDXJHNOIBQTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7OS/c1-30-17(13(9-25-30)21-27-15(10-33-21)18(23)24)20(32)26-11-6-7-31-16(8-11)28-19(29-31)12-4-2-3-5-14(12)22/h2-5,9-11,18H,6-8H2,1H3,(H,26,32).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).