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

C21H17ClF3N7OS — CID 90383422

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

4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383422) has the molecular formula C21H17ClF3N7OS and a molecular weight of 507.93 g/mol. Its IUPAC name is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
• PubChem CID: 90383422
• Molecular Formula: C21H17ClF3N7OS
• Molecular Weight: 507.93 g/mol
• Exact Mass: 507.09
• IUPAC Name: 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
• SMILES: Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)NC1CCn2nc(-c3cccc(F)c3)nc2C1
• InChI: InChI=1S/C21H17ClF3N7OS/c1-31-16(13(9-26-31)21-29-15(18(24)25)17(22)34-21)20(33)27-12-5-6-32-14(8-12)28-19(30-32)10-3-2-4-11(23)7-10/h2-4,7,9,12,18H,5-6,8H2,1H3,(H,27,33)
• InChIKey: RMAORKVIRLCYDS-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.93
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383422) is 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)NC1CCn2nc(-c3cccc(F)c3)nc2C1.

What is the InChIKey of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?

The InChIKey is RMAORKVIRLCYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N7OS/c1-31-16(13(9-26-31)21-29-15(18(24)25)17(22)34-21)20(33)27-12-5-6-32-14(8-12)28-19(30-32)10-3-2-4-11(23)7-10/h2-4,7,9,12,18H,5-6,8H2,1H3,(H,27,33).

What are the key properties of 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?

4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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 507.93 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-(3-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 90383422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).