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

C19H17ClF2N8OS — CID 90383505

IUPAC4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C19H17ClF2N8OS/c1-28-14(11(9-23-28)18-26-13(16(21)22)15(20)32-18)17(31)24-10-4-7-30-12(8-10)25-19(27-30)29-5-2-3-6-29/h4,7-9,16H,2-3,5-6H2,1H3,(H,24,31)
InChIKeyAGXZAZOLUMCTAU-UHFFFAOYSA-N
MW478.92 g/mol
LogP4.03
Rot. Bonds5

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

4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 90383505) has the molecular formula C19H17ClF2N8OS and a molecular weight of 478.92 g/mol. Its IUPAC name is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383505
Molecular FormulaC19H17ClF2N8OS
Molecular Weight478.92 g/mol
Exact Mass478.09
IUPAC Name4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1
InChIInChI=1S/C19H17ClF2N8OS/c1-28-14(11(9-23-28)18-26-13(16(21)22)15(20)32-18)17(31)24-10-4-7-30-12(8-10)25-19(27-30)29-5-2-3-6-29/h4,7-9,16H,2-3,5-6H2,1H3,(H,24,31)
InChIKeyAGXZAZOLUMCTAU-UHFFFAOYSA-N
XLogP4.03
TPSA93.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383505) is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1.
What is the InChIKey of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is AGXZAZOLUMCTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N8OS/c1-28-14(11(9-23-28)18-26-13(16(21)22)15(20)32-18)17(31)24-10-4-7-30-12(8-10)25-19(27-30)29-5-2-3-6-29/h4,7-9,16H,2-3,5-6H2,1H3,(H,24,31).
What are the key properties of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 478.92 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 90383505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).