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

C21H18F3N7OS — CID 90383138

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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(-c3cccc(F)c3)nc2C1
InChIInChI=1S/C21H18F3N7OS/c1-30-17(14(9-25-30)21-27-15(10-33-21)18(23)24)20(32)26-13-5-6-31-16(8-13)28-19(29-31)11-3-2-4-12(22)7-11/h2-4,7,9-10,13,18H,5-6,8H2,1H3,(H,26,32)
InChIKeySYZRDBJJRKRZRT-UHFFFAOYSA-N
MW473.48 g/mol
LogP3.62
Rot. Bonds5

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383138) 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-(3-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-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383138
Molecular FormulaC21H18F3N7OS
Molecular Weight473.48 g/mol
Exact Mass473.12
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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(-c3cccc(F)c3)nc2C1
InChIInChI=1S/C21H18F3N7OS/c1-30-17(14(9-25-30)21-27-15(10-33-21)18(23)24)20(32)26-13-5-6-31-16(8-13)28-19(29-31)11-3-2-4-12(22)7-11/h2-4,7,9-10,13,18H,5-6,8H2,1H3,(H,26,32)
InChIKeySYZRDBJJRKRZRT-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383138) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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-(3-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-(3-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(-c3cccc(F)c3)nc2C1.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is SYZRDBJJRKRZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7OS/c1-30-17(14(9-25-30)21-27-15(10-33-21)18(23)24)20(32)26-13-5-6-31-16(8-13)28-19(29-31)11-3-2-4-12(22)7-11/h2-4,7,9-10,13,18H,5-6,8H2,1H3,(H,26,32).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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-(3-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-(3-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 90383138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).