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

C22H23N7OS — CID 90383426

IUPAC4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)c(C)s1
InChIInChI=1S/C22H23N7OS/c1-13-19(24-14(2)31-13)17-12-23-28(3)20(17)22(30)25-16-9-10-29-18(11-16)26-21(27-29)15-7-5-4-6-8-15/h4-8,12,16H,9-11H2,1-3H3,(H,25,30)
InChIKeyOXKMZFXCLYUIFU-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.16
Rot. Bonds4

About 4-(2,5-dimethyl-1,3-thiazol-4-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-(2,5-dimethyl-1,3-thiazol-4-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 90383426) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-thiazol-4-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-(2,5-dimethyl-1,3-thiazol-4-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 CID90383426
Molecular FormulaC22H23N7OS
Molecular Weight433.54 g/mol
Exact Mass433.17
IUPAC Name4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)c(C)s1
InChIInChI=1S/C22H23N7OS/c1-13-19(24-14(2)31-13)17-12-23-28(3)20(17)22(30)25-16-9-10-29-18(11-16)26-21(27-29)15-7-5-4-6-8-15/h4-8,12,16H,9-11H2,1-3H3,(H,25,30)
InChIKeyOXKMZFXCLYUIFU-UHFFFAOYSA-N
XLogP3.16
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,3-thiazol-4-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-(2,5-dimethyl-1,3-thiazol-4-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 90383426) is 4-(2,5-dimethyl-1,3-thiazol-4-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-(2,5-dimethyl-1,3-thiazol-4-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-(2,5-dimethyl-1,3-thiazol-4-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 Cc1nc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccccc4)nc3C2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-thiazol-4-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 OXKMZFXCLYUIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c1-13-19(24-14(2)31-13)17-12-23-28(3)20(17)22(30)25-16-9-10-29-18(11-16)26-21(27-29)15-7-5-4-6-8-15/h4-8,12,16H,9-11H2,1-3H3,(H,25,30).
What are the key properties of 4-(2,5-dimethyl-1,3-thiazol-4-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-(2,5-dimethyl-1,3-thiazol-4-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 433.54 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,3-thiazol-4-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 90383426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).