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

C22H22FN7OS — CID 90383099

IUPAC4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1
InChIInChI=1S/C22H22FN7OS/c1-12-19(25-13(2)32-12)17-11-24-29(3)20(17)22(31)26-16-8-9-30-18(10-16)27-21(28-30)14-4-6-15(23)7-5-14/h4-7,11,16H,8-10H2,1-3H3,(H,26,31)
InChIKeyMNYABBVGUQCCQI-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.30
Rot. Bonds4

About 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383099) has the molecular formula C22H22FN7OS and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID90383099
Molecular FormulaC22H22FN7OS
Molecular Weight451.53 g/mol
Exact Mass451.16
IUPAC Name4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCc1nc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1
InChIInChI=1S/C22H22FN7OS/c1-12-19(25-13(2)32-12)17-11-24-29(3)20(17)22(31)26-16-8-9-30-18(10-16)27-21(28-30)14-4-6-15(23)7-5-14/h4-7,11,16H,8-10H2,1-3H3,(H,26,31)
InChIKeyMNYABBVGUQCCQI-UHFFFAOYSA-N
XLogP3.30
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383099) is 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cc1nc(-c2cnn(C)c2C(=O)NC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is MNYABBVGUQCCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7OS/c1-12-19(25-13(2)32-12)17-11-24-29(3)20(17)22(31)26-16-8-9-30-18(10-16)27-21(28-30)14-4-6-15(23)7-5-14/h4-7,11,16H,8-10H2,1-3H3,(H,26,31).
What are the key properties of 4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 3.30, 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)-N-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).