N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

C91H89F7N40O14S5 — CID 158403409

About N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine

N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 158403409) has the molecular formula C91H89F7N40O14S5 and a molecular weight of 2260.30 g/mol. Its IUPAC name is N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 158403409
• Molecular Formula: C91H89F7N40O14S5
• Molecular Weight: 2260.30 g/mol
• Exact Mass: 2258.60
• IUPAC Name: N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C(F)F)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(C)(=O)=O)C1.[C-]#[N+]CC1(n2cc(-c3cccc4ncnn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C(F)F)C1
• InChI: InChI=1S/C20H22N8O3S.C19H18F2N8O3S.C19H20N8O3S.C18H17F2N9O3S.C15H12F3N7O2S/c1-2-32(30,31)26-12-20(13-26,8-9-21)27-11-15(10-22-27)16-4-3-5-17-23-19(25-28(16)17)24-18(29)14-6-7-14;1-22-9-19(10-27(11-19)33(31,32)17(20)21)28-8-13(7-23-28)14-3-2-4-15-24-18(26-29(14)15)25-16(30)12-5-6-12;1-20-10-19(11-25(12-19)31(2,29)30)26-9-14(8-21-26)15-4-3-5-16-22-18(24-27(15)16)23-17(28)13-6-7-13;1-21-8-18(9-27(10-18)33(31,32)16(19)20)28-7-12(6-23-28)14-22-5-4-13-24-17(26-29(13)14)25-15(30)11-2-3-11;1-19-7-14(8-23(9-14)28(26,27)15(16,17)18)24-6-11(5-21-24)12-3-2-4-13-20-10-22-25(12)13/h3-5,10-11,14H,2,6-8,12-13H2,1H3,(H,24,25,29);2-4,7-8,12,17H,5-6,9-11H2,(H,25,26,30);3-5,8-9,13H,6-7,10-12H2,2H3,(H,23,24,28);4-7,11,16H,2-3,8-10H2,(H,25,26,30);2-6,10H,7-9H2
• InChIKey: GYJNUHMYGJVKLO-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 597.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 41
• Rotatable Bonds: 31
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2260.30
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 158403409) is N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C(F)F)C1.[C-]#[N+]CC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(C)(=O)=O)C1.[C-]#[N+]CC1(n2cc(-c3cccc4ncnn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C(F)F)C1.

What is the InChIKey of N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is GYJNUHMYGJVKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3S.C19H18F2N8O3S.C19H20N8O3S.C18H17F2N9O3S.C15H12F3N7O2S/c1-2-32(30,31)26-12-20(13-26,8-9-21)27-11-15(10-22-27)16-4-3-5-17-23-19(25-28(16)17)24-18(29)14-6-7-14;1-22-9-19(10-27(11-19)33(31,32)17(20)21)28-8-13(7-23-28)14-3-2-4-15-24-18(26-29(14)15)25-16(30)12-5-6-12;1-20-10-19(11-25(12-19)31(2,29)30)26-9-14(8-21-26)15-4-3-5-16-22-18(24-27(15)16)23-17(28)13-6-7-13;1-21-8-18(9-27(10-18)33(31,32)16(19)20)28-7-12(6-23-28)14-22-5-4-13-24-17(26-29(13)14)25-15(30)11-2-3-11;1-19-7-14(8-23(9-14)28(26,27)15(16,17)18)24-6-11(5-21-24)12-3-2-4-13-20-10-22-25(12)13/h3-5,10-11,14H,2,6-8,12-13H2,1H3,(H,24,25,29);2-4,7-8,12,17H,5-6,9-11H2,(H,25,26,30);3-5,8-9,13H,6-7,10-12H2,2H3,(H,23,24,28);4-7,11,16H,2-3,8-10H2,(H,25,26,30);2-6,10H,7-9H2.

What are the key properties of N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine?

N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 2260.30 g/mol, XLogP of 5.66, 31 rotatable bonds, 4 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(cyanomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(difluoromethylsulfonyl)-3-(isocyanomethyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]cyclopropanecarboxamide;N-[5-[1-[3-(isocyanomethyl)-1-methylsulfonylazetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;5-[1-[3-(isocyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 158403409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).