8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide

C114H113F4N21O11 — CID 161314037

About 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide

8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide (PubChem CID 161314037) has the molecular formula C114H113F4N21O11 and a molecular weight of 2029.29 g/mol. Its IUPAC name is 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
• PubChem CID: 161314037
• Molecular Formula: C114H113F4N21O11
• Molecular Weight: 2029.29 g/mol
• Exact Mass: 2027.89
• IUPAC Name: 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide
• SMILES: CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.CNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F.COc1ccc(-c2ccc(C(N)=O)nc2)cc1OC1CCCC1.COc1ccc(C2=NO[C@@H](C(=O)NO)C2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.Cc1cnc2c(-c3cccc4n[nH]nc34)cc(Cc3ccncc3)cc2c1
• InChI: InChI=1S/C24H20N4O2.C22H17N5.C20H25N3O.C18H20N2O3.C16H20N2O5.C14H11F4N5/c1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;1-14-9-17-11-16(10-15-5-7-23-8-6-15)12-19(21(17)24-13-14)18-3-2-4-20-22(18)26-27-25-20;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-22-16-9-7-12(10-17(16)23-14-4-2-3-5-14)13-6-8-15(18(19)21)20-11-13;1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20;1-19-11-10-12(22-13(21-11)14(16,17)18)23(7-20-10)6-8-4-2-3-5-9(8)15/h2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);2-9,11-13H,10H2,1H3,(H,25,26,27);4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;6-11,14H,2-5H2,1H3,(H2,19,21);6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);2-5,7H,6H2,1H3,(H,19,21,22)/t22-;;;;15-;/m0...1./s1
• InChIKey: VJGMKRUZYHNHPU-FZAOLKQVSA-N
• XLogP: 19.69
• TPSA: 399.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2029.29
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The IUPAC name of 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide (CID 161314037) is 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide.

What is the SMILES notation for 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The canonical SMILES for 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide is CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.CNc1nc(C(F)(F)F)nc2c1ncn2Cc1ccccc1F.COc1ccc(-c2ccc(C(N)=O)nc2)cc1OC1CCCC1.COc1ccc(C2=NO[C@@H](C(=O)NO)C2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.Cc1cnc2c(-c3cccc4n[nH]nc34)cc(Cc3ccncc3)cc2c1.

What is the InChIKey of 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

The InChIKey is VJGMKRUZYHNHPU-FZAOLKQVSA-N. The full InChI is InChI=1S/C24H20N4O2.C22H17N5.C20H25N3O.C18H20N2O3.C16H20N2O5.C14H11F4N5/c1-15-13-18-9-12-28-21(18)19(14-15)20(16-5-3-2-4-6-16)26-22(24(28)30)27-23(29)17-7-10-25-11-8-17;1-14-9-17-11-16(10-15-5-7-23-8-6-15)12-19(21(17)24-13-14)18-3-2-4-20-22(18)26-27-25-20;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-22-16-9-7-12(10-17(16)23-14-4-2-3-5-14)13-6-8-15(18(19)21)20-11-13;1-21-13-7-6-10(8-14(13)22-11-4-2-3-5-11)12-9-15(23-18-12)16(19)17-20;1-19-11-10-12(22-13(21-11)14(16,17)18)23(7-20-10)6-8-4-2-3-5-9(8)15/h2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);2-9,11-13H,10H2,1H3,(H,25,26,27);4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;6-11,14H,2-5H2,1H3,(H2,19,21);6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);2-5,7H,6H2,1H3,(H,19,21,22)/t22-;;;;15-;/m0...1./s1.

What are the key properties of 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide?

8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide has a molecular weight of 2029.29 g/mol, XLogP of 19.69, 22 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2H-benzotriazol-4-yl)-3-methyl-6-(pyridin-4-ylmethyl)quinoline;1-cyclopentyl-3-ethyl-6-(2-methylphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one;(5R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-N-hydroxy-4,5-dihydro-1,2-oxazole-5-carboxamide;5-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide;9-[(2-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)purin-6-amine;N-[(11R)-6-methyl-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-4-carboxamide is sourced from PubChem (CID 161314037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).