4-[5-cyclopropyl-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

C24H23F2N7OS — CID 90383248

IUPAC4-[5-cyclopropyl-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)c(C3CC3)s2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C24H23F2N7OS/c1-32-19(16(12-27-32)24-30-18(21(25)26)20(35-24)13-7-8-13)23(34)28-15-9-10-33-17(11-15)29-22(31-33)14-5-3-2-4-6-14/h2-6,12-13,15,21H,7-11H2,1H3,(H,28,34)
InChIKeyDEUDFRHSVLJJAX-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.36
Rot. Bonds6

About 4-[5-cyclopropyl-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-[5-cyclopropyl-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 90383248) has the molecular formula C24H23F2N7OS and a molecular weight of 495.56 g/mol. Its IUPAC name is 4-[5-cyclopropyl-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-[5-cyclopropyl-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 CID90383248
Molecular FormulaC24H23F2N7OS
Molecular Weight495.56 g/mol
Exact Mass495.17
IUPAC Name4-[5-cyclopropyl-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)c(C3CC3)s2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C24H23F2N7OS/c1-32-19(16(12-27-32)24-30-18(21(25)26)20(35-24)13-7-8-13)23(34)28-15-9-10-33-17(11-15)29-22(31-33)14-5-3-2-4-6-14/h2-6,12-13,15,21H,7-11H2,1H3,(H,28,34)
InChIKeyDEUDFRHSVLJJAX-UHFFFAOYSA-N
XLogP4.36
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[5-cyclopropyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-cyclopropyl-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-[5-cyclopropyl-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 90383248) is 4-[5-cyclopropyl-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-[5-cyclopropyl-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-[5-cyclopropyl-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)c(C3CC3)s2)c1C(=O)NC1CCn2nc(-c3ccccc3)nc2C1.
What is the InChIKey of 4-[5-cyclopropyl-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 DEUDFRHSVLJJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7OS/c1-32-19(16(12-27-32)24-30-18(21(25)26)20(35-24)13-7-8-13)23(34)28-15-9-10-33-17(11-15)29-22(31-33)14-5-3-2-4-6-14/h2-6,12-13,15,21H,7-11H2,1H3,(H,28,34).
What are the key properties of 4-[5-cyclopropyl-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-[5-cyclopropyl-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 495.56 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-cyclopropyl-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 90383248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).