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

C24H22F3N7OS — CID 90383418

IUPAC4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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)c(C3CC3)s2)c1C(=O)NC1CCn2nc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C24H22F3N7OS/c1-33-19(16(11-28-33)24-31-18(21(26)27)20(36-24)12-2-3-12)23(35)29-15-8-9-34-17(10-15)30-22(32-34)13-4-6-14(25)7-5-13/h4-7,11-12,15,21H,2-3,8-10H2,1H3,(H,29,35)
InChIKeyNVWNBIYOCUQYAJ-UHFFFAOYSA-N
MW513.55 g/mol
LogP4.50
Rot. Bonds6

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

4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383418) has the molecular formula C24H22F3N7OS and a molecular weight of 513.55 g/mol. Its IUPAC name is 4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383418
Molecular FormulaC24H22F3N7OS
Molecular Weight513.55 g/mol
Exact Mass513.16
IUPAC Name4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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)c(C3CC3)s2)c1C(=O)NC1CCn2nc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C24H22F3N7OS/c1-33-19(16(11-28-33)24-31-18(21(26)27)20(36-24)12-2-3-12)23(35)29-15-8-9-34-17(10-15)30-22(32-34)13-4-6-14(25)7-5-13/h4-7,11-12,15,21H,2-3,8-10H2,1H3,(H,29,35)
InChIKeyNVWNBIYOCUQYAJ-UHFFFAOYSA-N
XLogP4.50
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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

5-(5-ethyl-2-thienyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000253
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
5-(5-ethylthiophen-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1000338
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-(propan-2-ylamino)-1,3-thiazole-4-carboxamide
CID 46189103
US9777000, Example 1.3
CID 78322329
US9777000, Example 1.4
CID 78322330
US9777000, Example 1.5
CID 78322331
4-(5-chloro-4-(difluoromethyl)thiazol-2-yl)-1-methyl-N-(2-phenylimidazo[1,2-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 78322643
7-[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 89586162
N-[6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 90241107
N-[6-[3-(4-fluorophenyl)-1-methyl-5-piperidin-4-ylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 90241226
N-[6-[1-cyclopropyl-3-(4-fluorophenyl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 90241397

Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383418) is 4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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)c(C3CC3)s2)c1C(=O)NC1CCn2nc(-c3ccc(F)cc3)nc2C1.
What is the InChIKey of 4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is NVWNBIYOCUQYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7OS/c1-33-19(16(11-28-33)24-31-18(21(26)27)20(36-24)12-2-3-12)23(35)29-15-8-9-34-17(10-15)30-22(32-34)13-4-6-14(25)7-5-13/h4-7,11-12,15,21H,2-3,8-10H2,1H3,(H,29,35).
What are the key properties of 4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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 513.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(4-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 90383418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).