N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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

C123H140N18O17S — CID 159255021

About N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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

N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 159255021) has the molecular formula C123H140N18O17S and a molecular weight of 2174.65 g/mol. Its IUPAC name is N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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: N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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: 159255021
• Molecular Formula: C123H140N18O17S
• Molecular Weight: 2174.65 g/mol
• Exact Mass: 2173.04
• IUPAC Name: N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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: CCOc1cnccc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COc1ccc(C2=NO[C@@H](C(=O)NO)C2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2
• InChI: InChI=1S/C28H31N3O4S.C24H20N4O2.C20H25N3O.C19H23N5O2.C16H20N2O5.C16H21NO3/c1-18-5-11-21(12-6-18)36(32,33)30-20-9-7-19(8-10-20)28-23-16-27(35-4)26(34-3)15-22(23)24-17-31(2)14-13-25(24)29-28;1-15-13-18-9-12-28-21(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;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-3-14-16-18(24(23-14)12-7-5-6-8-12)21-17(22-19(16)25)13-9-10-20-11-15(13)26-4-2;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;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;9-12H,3-8H2,1-2H3,(H,21,22,25);6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t24-,25-;22-;;;15-;/m00..1./s1
• InChIKey: KVTZZQGJAJADPR-NFUZVISRSA-N
• XLogP: 19.30
• TPSA: 415.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.65
LogP ≤ 5	19.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

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 N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 159255021) is N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 CCOc1cnccc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1.CCc1nn(C2CCCC2)c2c1CCN(c1ccccc1C)C2=O.COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COc1ccc(C2=NO[C@@H](C(=O)NO)C2)cc1OC1CCCC1.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.Cc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1ccncc1)C(=O)N3CC2.

What is the InChIKey of N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 KVTZZQGJAJADPR-NFUZVISRSA-N. The full InChI is InChI=1S/C28H31N3O4S.C24H20N4O2.C20H25N3O.C19H23N5O2.C16H20N2O5.C16H21NO3/c1-18-5-11-21(12-6-18)36(32,33)30-20-9-7-19(8-10-20)28-23-16-27(35-4)26(34-3)15-22(23)24-17-31(2)14-13-25(24)29-28;1-15-13-18-9-12-28-21(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;1-3-17-16-12-13-22(18-11-7-4-8-14(18)2)20(24)19(16)23(21-17)15-9-5-6-10-15;1-3-14-16-18(24(23-14)12-7-5-6-8-12)21-17(22-19(16)25)13-9-10-20-11-15(13)26-4-2;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;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3;2-8,10-11,13-14,22H,9,12H2,1H3,(H,27,29);4,7-8,11,15H,3,5-6,9-10,12-13H2,1-2H3;9-12H,3-8H2,1-2H3,(H,21,22,25);6-8,11,15,20H,2-5,9H2,1H3,(H,17,19);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t24-,25-;22-;;;15-;/m00..1./s1.

What are the key properties of N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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?

N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 2174.65 g/mol, XLogP of 19.30, 26 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;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 159255021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).