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

C22H19N7OS — CID 90383349

IUPAC4-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCCc1csc(-c2cnn(C)c2C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)n1
InChIInChI=1S/C22H19N7OS/c1-3-15-13-31-22(25-15)17-12-23-28(2)19(17)21(30)24-16-9-10-29-18(11-16)26-20(27-29)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,24,30)
InChIKeyABMAHUPFOGJZTL-UHFFFAOYSA-N
MW429.51 g/mol
LogP4.07
Rot. Bonds5

About 4-(4-ethyl-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-ethyl-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 90383349) has the molecular formula C22H19N7OS and a molecular weight of 429.51 g/mol. Its IUPAC name is 4-(4-ethyl-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-ethyl-1,3-thiazol-2-yl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID90383349
Molecular FormulaC22H19N7OS
Molecular Weight429.51 g/mol
Exact Mass429.14
IUPAC Name4-(4-ethyl-1,3-thiazol-2-yl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCCc1csc(-c2cnn(C)c2C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)n1
InChIInChI=1S/C22H19N7OS/c1-3-15-13-31-22(25-15)17-12-23-28(2)19(17)21(30)24-16-9-10-29-18(11-16)26-20(27-29)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,24,30)
InChIKeyABMAHUPFOGJZTL-UHFFFAOYSA-N
XLogP4.07
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-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-ethyl-1,3-thiazol-2-yl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 90383349) is 4-(4-ethyl-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-ethyl-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-ethyl-1,3-thiazol-2-yl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is CCc1csc(-c2cnn(C)c2C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)n1.
What is the InChIKey of 4-(4-ethyl-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 ABMAHUPFOGJZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7OS/c1-3-15-13-31-22(25-15)17-12-23-28(2)19(17)21(30)24-16-9-10-29-18(11-16)26-20(27-29)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,24,30).
What are the key properties of 4-(4-ethyl-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-ethyl-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 429.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-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 90383349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).