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]-1-methylpyrazole-5-carboxamide

C22H20F3N7OS — CID 90383419

IUPAC4-[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]-1-methylpyrazole-5-carboxamide
SMILESCc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccc(F)cc4)nc3C2)nc1C(F)F
InChIInChI=1S/C22H20F3N7OS/c1-11-17(19(24)25)29-22(34-11)15-10-26-31(2)18(15)21(33)27-14-7-8-32-16(9-14)28-20(30-32)12-3-5-13(23)6-4-12/h3-6,10,14,19H,7-9H2,1-2H3,(H,27,33)
InChIKeyJXHYDFKXMXZBQW-UHFFFAOYSA-N
MW487.51 g/mol
LogP3.93
Rot. Bonds5

About 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]-1-methylpyrazole-5-carboxamide

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]-1-methylpyrazole-5-carboxamide (PubChem CID 90383419) has the molecular formula C22H20F3N7OS and a molecular weight of 487.51 g/mol. Its IUPAC name is 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]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[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]-1-methylpyrazole-5-carboxamide
PubChem CID90383419
Molecular FormulaC22H20F3N7OS
Molecular Weight487.51 g/mol
Exact Mass487.14
IUPAC Name4-[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]-1-methylpyrazole-5-carboxamide
SMILESCc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccc(F)cc4)nc3C2)nc1C(F)F
InChIInChI=1S/C22H20F3N7OS/c1-11-17(19(24)25)29-22(34-11)15-10-26-31(2)18(15)21(33)27-14-7-8-32-16(9-14)28-20(30-32)12-3-5-13(23)6-4-12/h3-6,10,14,19H,7-9H2,1-2H3,(H,27,33)
InChIKeyJXHYDFKXMXZBQW-UHFFFAOYSA-N
XLogP3.93
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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]-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 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]-1-methylpyrazole-5-carboxamide (CID 90383419) is 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]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 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]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 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]-1-methylpyrazole-5-carboxamide is Cc1sc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccc(F)cc4)nc3C2)nc1C(F)F.
What is the InChIKey of 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]-1-methylpyrazole-5-carboxamide?
The InChIKey is JXHYDFKXMXZBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7OS/c1-11-17(19(24)25)29-22(34-11)15-10-26-31(2)18(15)21(33)27-14-7-8-32-16(9-14)28-20(30-32)12-3-5-13(23)6-4-12/h3-6,10,14,19H,7-9H2,1-2H3,(H,27,33).
What are the key properties of 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]-1-methylpyrazole-5-carboxamide?
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]-1-methylpyrazole-5-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).