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

C21H19F2N7OS — CID 90383090

IUPAC4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[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/C21H19F2N7OS/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/h2-6,10-11,13,18H,7-9H2,1H3,(H,25,31)
InChIKeyOCYVDLDWTORTEM-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.48
Rot. Bonds5

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383090) has the molecular formula C21H19F2N7OS and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383090
Molecular FormulaC21H19F2N7OS
Molecular Weight455.49 g/mol
Exact Mass455.13
IUPAC Name4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[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/C21H19F2N7OS/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/h2-6,10-11,13,18H,7-9H2,1H3,(H,25,31)
InChIKeyOCYVDLDWTORTEM-UHFFFAOYSA-N
XLogP3.48
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.48
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-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383090) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is OCYVDLDWTORTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7OS/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/h2-6,10-11,13,18H,7-9H2,1H3,(H,25,31).
What are the key properties of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.48, 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-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).