4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C21H18ClF2N7OS — CID 90383121

IUPAC4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C21H18ClF2N7OS/c1-30-16(13(10-25-30)21-28-15(18(23)24)17(22)33-21)20(32)26-12-7-8-31-14(9-12)27-19(29-31)11-5-3-2-4-6-11/h2-6,10,12,18H,7-9H2,1H3,(H,26,32)
InChIKeyVTZHNCRPXFLXLE-UHFFFAOYSA-N
MW489.94 g/mol
LogP4.14
Rot. Bonds5

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

4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383121) has the molecular formula C21H18ClF2N7OS and a molecular weight of 489.94 g/mol. Its IUPAC name is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383121
Molecular FormulaC21H18ClF2N7OS
Molecular Weight489.94 g/mol
Exact Mass489.10
IUPAC Name4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C21H18ClF2N7OS/c1-30-16(13(10-25-30)21-28-15(18(23)24)17(22)33-21)20(32)26-12-7-8-31-14(9-12)27-19(29-31)11-5-3-2-4-6-11/h2-6,10,12,18H,7-9H2,1H3,(H,26,32)
InChIKeyVTZHNCRPXFLXLE-UHFFFAOYSA-N
XLogP4.14
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.94
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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
US9777000, Example 2.29
CID 90383082
US9777000, Example 3.6
CID 90383084
US9777000, Example 2.28
CID 90383087
US9777000, Example 5.17
CID 90383090
US9777000, Example 5.28
CID 90383099
US9777000, Example 5.32
CID 90383101
US9777000, Example 4.13
CID 90383102

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383121) is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1.
What is the InChIKey of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is VTZHNCRPXFLXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF2N7OS/c1-30-16(13(10-25-30)21-28-15(18(23)24)17(22)33-21)20(32)26-12-7-8-31-14(9-12)27-19(29-31)11-5-3-2-4-6-11/h2-6,10,12,18H,7-9H2,1H3,(H,26,32).
What are the key properties of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 489.94 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).