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

C26H32F3N7OS — CID 144691521

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]-1H-pyrazole-5-carboxamide;ethane;propane
SMILESCC.CCC.Cc1sc(-c2cn[nH]c2C(=O)NC2CCn3nc(-c4ccc(F)cc4)nc3C2)nc1C(F)F
InChIInChI=1S/C21H18F3N7OS.C3H8.C2H6/c1-10-16(18(23)24)28-21(33-10)14-9-25-29-17(14)20(32)26-13-6-7-31-15(8-13)27-19(30-31)11-2-4-12(22)5-3-11;1-3-2;1-2/h2-5,9,13,18H,6-8H2,1H3,(H,25,29)(H,26,32);3H2,1-2H3;1-2H3
InChIKeyUIAXFIYPIJCEOQ-UHFFFAOYSA-N
MW547.65 g/mol
LogP6.36
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]-1H-pyrazole-5-carboxamide;ethane;propane

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 (PubChem CID 144691521) has the molecular formula C26H32F3N7OS and a molecular weight of 547.65 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]-1H-pyrazole-5-carboxamide;ethane;propane.

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]-1H-pyrazole-5-carboxamide;ethane;propane
PubChem CID144691521
Molecular FormulaC26H32F3N7OS
Molecular Weight547.65 g/mol
Exact Mass547.23
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]-1H-pyrazole-5-carboxamide;ethane;propane
SMILESCC.CCC.Cc1sc(-c2cn[nH]c2C(=O)NC2CCn3nc(-c4ccc(F)cc4)nc3C2)nc1C(F)F
InChIInChI=1S/C21H18F3N7OS.C3H8.C2H6/c1-10-16(18(23)24)28-21(33-10)14-9-25-29-17(14)20(32)26-13-6-7-31-15(8-13)27-19(30-31)11-2-4-12(22)5-3-11;1-3-2;1-2/h2-5,9,13,18H,6-8H2,1H3,(H,25,29)(H,26,32);3H2,1-2H3;1-2H3
InChIKeyUIAXFIYPIJCEOQ-UHFFFAOYSA-N
XLogP6.36
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.65
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]-1H-pyrazole-5-carboxamide;ethane;propane 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]-1H-pyrazole-5-carboxamide;ethane;propane?
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]-1H-pyrazole-5-carboxamide;ethane;propane (CID 144691521) 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]-1H-pyrazole-5-carboxamide;ethane;propane.
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]-1H-pyrazole-5-carboxamide;ethane;propane?
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]-1H-pyrazole-5-carboxamide;ethane;propane is CC.CCC.Cc1sc(-c2cn[nH]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]-1H-pyrazole-5-carboxamide;ethane;propane?
The InChIKey is UIAXFIYPIJCEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N7OS.C3H8.C2H6/c1-10-16(18(23)24)28-21(33-10)14-9-25-29-17(14)20(32)26-13-6-7-31-15(8-13)27-19(30-31)11-2-4-12(22)5-3-11;1-3-2;1-2/h2-5,9,13,18H,6-8H2,1H3,(H,25,29)(H,26,32);3H2,1-2H3;1-2H3.
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]-1H-pyrazole-5-carboxamide;ethane;propane?
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 has a molecular weight of 547.65 g/mol, XLogP of 6.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1H-pyrazole-5-carboxamide;ethane;propane is sourced from PubChem (CID 144691521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).