N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione

C105H103F3N24O19S — CID 158708467

About N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione

N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione (PubChem CID 158708467) has the molecular formula C105H103F3N24O19S and a molecular weight of 2094.19 g/mol. Its IUPAC name is N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione.

Molecular Properties

• Compound Name: N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione
• PubChem CID: 158708467
• Molecular Formula: C105H103F3N24O19S
• Molecular Weight: 2094.19 g/mol
• Exact Mass: 2092.75
• IUPAC Name: N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione
• SMILES: C=C=C=C=C=C=C=C=C=C=C=C=C=C=S.CC(C)(C)OC(=O)N1CC(CN)C1.COc1cnc(-n2cnc(C)n2)c2c1C(C(=O)C(=O)NCC1CN(C(=O)C(F)(F)F)C1)=CC2.COc1cnc(-n2cnc(C)n2)c2c1C(C(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)=CC2.COc1cnc(-n2cnc(C)n2)c2c1C(C(=O)C(=O)NCC1CN(C(=O)c3ccccc3)C1)=CC2.COc1cnc(-n2cnc(C)n2)c2c1C(C(=O)C(=O)O)=CC2
• InChI: InChI=1S/C25H24N6O4.C23H28N6O5.C20H19F3N6O4.C14H12N4O4.C14H2S.C9H18N2O2/c1-15-28-14-31(29-15)23-19-9-8-18(21(19)20(35-2)11-26-23)22(32)24(33)27-10-16-12-30(13-16)25(34)17-6-4-3-5-7-17;1-13-26-12-29(27-13)20-16-7-6-15(18(16)17(33-5)9-24-20)19(30)21(31)25-8-14-10-28(11-14)22(32)34-23(2,3)4;1-10-26-9-29(27-10)17-13-4-3-12(15(13)14(33-2)6-24-17)16(30)18(31)25-5-11-7-28(8-11)19(32)20(21,22)23;1-7-16-6-18(17-7)13-9-4-3-8(12(19)14(20)21)11(9)10(22-2)5-15-13;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-9(2,3)13-8(12)11-5-7(4-10)6-11/h3-8,11,14,16H,9-10,12-13H2,1-2H3,(H,27,33);6,9,12,14H,7-8,10-11H2,1-5H3,(H,25,31);3,6,9,11H,4-5,7-8H2,1-2H3,(H,25,31);3,5-6H,4H2,1-2H3,(H,20,21);1H2;7H,4-6,10H2,1-3H3
• InChIKey: IIKNZYZTJQAZSG-UHFFFAOYSA-N
• XLogP: 7.49
• TPSA: 529.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.19
LogP ≤ 5	7.49
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione?

The IUPAC name of N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione (CID 158708467) is N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione.

What is the SMILES notation for N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione?

The canonical SMILES for N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione is C=C=C=C=C=C=C=C=C=C=C=C=C=C=S.CC(C)(C)OC(=O)N1CC(CN)C1.COc1cnc(-n2cnc(C)n2)c2c1C(C(=O)C(=O)NCC1CN(C(=O)C(F)(F)F)C1)=CC2.COc1cnc(-n2cnc(C)n2)c2c1C(C(=O)C(=O)NCC1CN(C(=O)OC(C)(C)C)C1)=CC2.COc1cnc(-n2cnc(C)n2)c2c1C(C(=O)C(=O)NCC1CN(C(=O)c3ccccc3)C1)=CC2.COc1cnc(-n2cnc(C)n2)c2c1C(C(=O)C(=O)O)=CC2.

What is the InChIKey of N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione?

The InChIKey is IIKNZYZTJQAZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4.C23H28N6O5.C20H19F3N6O4.C14H12N4O4.C14H2S.C9H18N2O2/c1-15-28-14-31(29-15)23-19-9-8-18(21(19)20(35-2)11-26-23)22(32)24(33)27-10-16-12-30(13-16)25(34)17-6-4-3-5-7-17;1-13-26-12-29(27-13)20-16-7-6-15(18(16)17(33-5)9-24-20)19(30)21(31)25-8-14-10-28(11-14)22(32)34-23(2,3)4;1-10-26-9-29(27-10)17-13-4-3-12(15(13)14(33-2)6-24-17)16(30)18(31)25-5-11-7-28(8-11)19(32)20(21,22)23;1-7-16-6-18(17-7)13-9-4-3-8(12(19)14(20)21)11(9)10(22-2)5-15-13;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-9(2,3)13-8(12)11-5-7(4-10)6-11/h3-8,11,14,16H,9-10,12-13H2,1-2H3,(H,27,33);6,9,12,14H,7-8,10-11H2,1-5H3,(H,25,31);3,6,9,11H,4-5,7-8H2,1-2H3,(H,25,31);3,5-6H,4H2,1-2H3,(H,20,21);1H2;7H,4-6,10H2,1-3H3.

What are the key properties of N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione?

N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione has a molecular weight of 2094.19 g/mol, XLogP of 7.49, 24 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzoylazetidin-3-yl)methyl]-2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetamide;tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;tert-butyl 3-[[[2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetyl]amino]methyl]azetidine-1-carboxylate;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxoacetic acid;2-[4-methoxy-1-(3-methyl-1,2,4-triazol-1-yl)-7H-cyclopenta[c]pyridin-5-yl]-2-oxo-N-[[1-(2,2,2-trifluoroacetyl)azetidin-3-yl]methyl]acetamide;tetradeca-1,2,3,4,5,6,7,8,9,10,11,12,13-tridecaene-1-thione is sourced from PubChem (CID 158708467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).