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

C21H15F2N7OS — CID 90383115

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H15F2N7OS/c1-29-17(14(10-24-29)21-26-15(11-32-21)18(22)23)20(31)25-13-7-8-30-16(9-13)27-19(28-30)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,25,31)
InChIKeyDAYYTMBBMJXEKP-UHFFFAOYSA-N
MW451.46 g/mol
LogP4.44
Rot. Bonds5

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

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383115) has the molecular formula C21H15F2N7OS and a molecular weight of 451.46 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383115
Molecular FormulaC21H15F2N7OS
Molecular Weight451.46 g/mol
Exact Mass451.10
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H15F2N7OS/c1-29-17(14(10-24-29)21-26-15(11-32-21)18(22)23)20(31)25-13-7-8-30-16(9-13)27-19(28-30)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,25,31)
InChIKeyDAYYTMBBMJXEKP-UHFFFAOYSA-N
XLogP4.44
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.46
LogP ≤ 54.44
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]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383115) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is DAYYTMBBMJXEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7OS/c1-29-17(14(10-24-29)21-26-15(11-32-21)18(22)23)20(31)25-13-7-8-30-16(9-13)27-19(28-30)12-5-3-2-4-6-12/h2-11,18H,1H3,(H,25,31).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 451.46 g/mol, XLogP of 4.44, 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]-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).