1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone

C23H23FN6OS — CID 159062186

IUPAC1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
SMILESCc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1
InChIInChI=1S/C23H23FN6OS/c1-13-21(26-14(2)32-13)18-12-25-29(3)22(18)19(31)10-15-8-9-30-20(11-15)27-23(28-30)16-4-6-17(24)7-5-16/h4-7,12,15H,8-11H2,1-3H3
InChIKeyDUJHDXKUPTVPJM-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.39
Rot. Bonds5

About 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone

1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone (PubChem CID 159062186) has the molecular formula C23H23FN6OS and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
PubChem CID159062186
Molecular FormulaC23H23FN6OS
Molecular Weight450.54 g/mol
Exact Mass450.16
IUPAC Name1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
SMILESCc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1
InChIInChI=1S/C23H23FN6OS/c1-13-21(26-14(2)32-13)18-12-25-29(3)22(18)19(31)10-15-8-9-30-20(11-15)27-23(28-30)16-4-6-17(24)7-5-16/h4-7,12,15H,8-11H2,1-3H3
InChIKeyDUJHDXKUPTVPJM-UHFFFAOYSA-N
XLogP4.39
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone with MolForge

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Related Compounds

1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-(5-chloro-4-methyl-1,3-thiazol-2-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 158885289
1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile
CID 159726582
1-[4-(3-isocyano-1,2,4-thiadiazol-5-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 159173110
1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(2-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 159742359
1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 157335364
1-[1-methyl-4-(5-methyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 158092429
2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 83965348
1-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 158442584
4-[4-(difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide;ethane;propane
CID 144691521
1-methyl-4-(4-methyl-2-pyridinyl)-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 90383091
(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanol
CID 117156315
[2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol
CID 117156317

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The IUPAC name of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone (CID 159062186) is 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone.
What is the SMILES notation for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The canonical SMILES for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone is Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1.
What is the InChIKey of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The InChIKey is DUJHDXKUPTVPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6OS/c1-13-21(26-14(2)32-13)18-12-25-29(3)22(18)19(31)10-15-8-9-30-20(11-15)27-23(28-30)16-4-6-17(24)7-5-16/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone has a molecular weight of 450.54 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone is sourced from PubChem (CID 159062186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).