2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide

C19H15F6N5OS — CID 177050078

About 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide

2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 177050078) has the molecular formula C19H15F6N5OS and a molecular weight of 475.42 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 177050078
• Molecular Formula: C19H15F6N5OS
• Molecular Weight: 475.42 g/mol
• Exact Mass: 475.09
• IUPAC Name: 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(C(F)(F)F)c(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)s1
• InChI: InChI=1S/C19H15F6N5OS/c1-9-27-16(19(23,24)25)15(32-9)17(31)28-11-3-2-6-30-13(11)8-12(29-30)10-4-5-26-14(7-10)18(20,21)22/h4-5,7-8,11H,2-3,6H2,1H3,(H,28,31)/t11-/m0/s1
• InChIKey: KQSYOUZIDPVEGG-NSHDSACASA-N
• XLogP: 5.01
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.42
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide (CID 177050078) is 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C(F)(F)F)c(C(=O)N[C@H]2CCCn3nc(-c4ccnc(C(F)(F)F)c4)cc32)s1.

What is the InChIKey of 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is KQSYOUZIDPVEGG-NSHDSACASA-N. The full InChI is InChI=1S/C19H15F6N5OS/c1-9-27-16(19(23,24)25)15(32-9)17(31)28-11-3-2-6-30-13(11)8-12(29-30)10-4-5-26-14(7-10)18(20,21)22/h4-5,7-8,11H,2-3,6H2,1H3,(H,28,31)/t11-/m0/s1.

What are the key properties of 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide?

2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 177050078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).