4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C19H17F3N8OS — CID 90383131

About 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 90383131) has the molecular formula C19H17F3N8OS and a molecular weight of 462.46 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
• PubChem CID: 90383131
• Molecular Formula: C19H17F3N8OS
• Molecular Weight: 462.46 g/mol
• Exact Mass: 462.12
• IUPAC Name: 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
• SMILES: Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CC[C@H](F)C3)nc2c1
• InChI: InChI=1S/C19H17F3N8OS/c1-28-15(12(7-23-28)18-25-13(9-32-18)16(21)22)17(31)24-11-3-5-30-14(6-11)26-19(27-30)29-4-2-10(20)8-29/h3,5-7,9-10,16H,2,4,8H2,1H3,(H,24,31)/t10-/m0/s1
• InChIKey: HUAYIZVSFFNNMQ-JTQLQIEISA-N
• XLogP: 3.32
• TPSA: 93.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.46
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?

The IUPAC name of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 90383131) is 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

What is the SMILES notation for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?

The canonical SMILES for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(-c2nc(C(F)F)cs2)c1C(=O)Nc1ccn2nc(N3CC[C@H](F)C3)nc2c1.

What is the InChIKey of 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?

The InChIKey is HUAYIZVSFFNNMQ-JTQLQIEISA-N. The full InChI is InChI=1S/C19H17F3N8OS/c1-28-15(12(7-23-28)18-25-13(9-32-18)16(21)22)17(31)24-11-3-5-30-14(6-11)26-19(27-30)29-4-2-10(20)8-29/h3,5-7,9-10,16H,2,4,8H2,1H3,(H,24,31)/t10-/m0/s1.

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

4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(difluoromethyl)-1,3-thiazol-2-yl]-N-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 90383131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).