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

C21H14F3N7OS — CID 90383106

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F
InChIInChI=1S/C21H14F3N7OS/c1-30-17(12(8-25-30)21-27-15(10-33-21)18(23)24)20(32)26-14-7-16-28-19(11-5-3-2-4-6-11)29-31(16)9-13(14)22/h2-10,18H,1H3,(H,26,32)
InChIKeyBKYASGOXZOSSTI-UHFFFAOYSA-N
MW469.45 g/mol
LogP4.58
Rot. Bonds5

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 90383106) has the molecular formula C21H14F3N7OS and a molecular weight of 469.45 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[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-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
PubChem CID90383106
Molecular FormulaC21H14F3N7OS
Molecular Weight469.45 g/mol
Exact Mass469.09
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F
InChIInChI=1S/C21H14F3N7OS/c1-30-17(12(8-25-30)21-27-15(10-33-21)18(23)24)20(32)26-14-7-16-28-19(11-5-3-2-4-6-11)29-31(16)9-13(14)22/h2-10,18H,1H3,(H,26,32)
InChIKeyBKYASGOXZOSSTI-UHFFFAOYSA-N
XLogP4.58
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 54.58
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-(6-fluoro-2-phenyl-[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-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (CID 90383106) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[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-(6-fluoro-2-phenyl-[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-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is BKYASGOXZOSSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7OS/c1-30-17(12(8-25-30)21-27-15(10-33-21)18(23)24)20(32)26-14-7-16-28-19(11-5-3-2-4-6-11)29-31(16)9-13(14)22/h2-10,18H,1H3,(H,26,32).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 469.45 g/mol, XLogP of 4.58, 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-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).