N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide

C78H78F3N35O11S2 — CID 159343597

About N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide

N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide (PubChem CID 159343597) has the molecular formula C78H78F3N35O11S2 and a molecular weight of 1802.84 g/mol. Its IUPAC name is N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide
• PubChem CID: 159343597
• Molecular Formula: C78H78F3N35O11S2
• Molecular Weight: 1802.84 g/mol
• Exact Mass: 1801.60
• IUPAC Name: N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide
• SMILES: N#CCC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(C(=O)C2CC2)C1.[C-]#[N+]CC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(C(=O)COC)C1.[C-]#[N+]CC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(C)(=O)=O)C1
• InChI: InChI=1S/C21H21N9O2.C20H21N9O3.C19H17F3N8O3S.C18H19N9O3S/c1-22-10-21(11-28(12-21)19(32)14-4-5-14)29-9-15(8-24-29)17-23-7-6-16-25-20(27-30(16)17)26-18(31)13-2-3-13;1-21-10-20(11-27(12-20)16(30)9-32-2)28-8-14(7-23-28)17-22-6-5-15-24-19(26-29(15)17)25-18(31)13-3-4-13;20-19(21,22)34(32,33)28-10-18(11-28,6-7-23)29-9-13(8-24-29)14-2-1-3-15-25-17(27-30(14)15)26-16(31)12-4-5-12;1-19-9-18(10-25(11-18)31(2,29)30)26-8-13(7-21-26)15-20-6-5-14-22-17(24-27(14)15)23-16(28)12-3-4-12/h6-9,13-14H,2-5,10-12H2,(H,26,27,31);5-8,13H,3-4,9-12H2,2H3,(H,25,26,31);1-3,8-9,12H,4-6,10-11H2,(H,26,27,31);5-8,12H,3-4,9-11H2,2H3,(H,23,24,28)
• InChIKey: LGLAXIJQJFIGBV-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 508.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1802.84
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	35

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-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide (CID 159343597) is N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide is N#CCC1(n2cc(-c3cccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(=O)(=O)C(F)(F)F)C1.[C-]#[N+]CC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(C(=O)C2CC2)C1.[C-]#[N+]CC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(C(=O)COC)C1.[C-]#[N+]CC1(n2cc(-c3nccc4nc(NC(=O)C5CC5)nn34)cn2)CN(S(C)(=O)=O)C1.

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

The InChIKey is LGLAXIJQJFIGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N9O2.C20H21N9O3.C19H17F3N8O3S.C18H19N9O3S/c1-22-10-21(11-28(12-21)19(32)14-4-5-14)29-9-15(8-24-29)17-23-7-6-16-25-20(27-30(16)17)26-18(31)13-2-3-13;1-21-10-20(11-27(12-20)16(30)9-32-2)28-8-14(7-23-28)17-22-6-5-15-24-19(26-29(15)17)25-18(31)13-3-4-13;20-19(21,22)34(32,33)28-10-18(11-28,6-7-23)29-9-13(8-24-29)14-2-1-3-15-25-17(27-30(14)15)26-16(31)12-4-5-12;1-19-9-18(10-25(11-18)31(2,29)30)26-8-13(7-21-26)15-20-6-5-14-22-17(24-27(14)15)23-16(28)12-3-4-12/h6-9,13-14H,2-5,10-12H2,(H,26,27,31);5-8,13H,3-4,9-12H2,2H3,(H,25,26,31);1-3,8-9,12H,4-6,10-11H2,(H,26,27,31);5-8,12H,3-4,9-11H2,2H3,(H,23,24,28).

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

N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide has a molecular weight of 1802.84 g/mol, XLogP of 3.58, 25 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[3-(cyanomethyl)-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-[1-(cyclopropanecarbonyl)-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-(2-methoxyacetyl)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-c]pyrimidin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159343597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).