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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one

C98H108N14O15S — CID 161371980

IUPACN-[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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCOc1cnccc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1.COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COc1ccc(C2=N[C@H](CO)Cc3cc(OC)c(OC)cc32)cc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.O=c1c2[nH]cnc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C28H31N3O4S.C20H23NO5.C19H23N5O2.C16H21NO3.C15H10N4O/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;1-23-16-6-5-12(8-17(16)24-2)20-15-10-19(26-4)18(25-3)9-13(15)7-14(11-22)21-20;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;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;20-15-13-12(17-9-18-13)11-7-4-8-16-14(11)19(15)10-5-2-1-3-6-10/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3;5-6,8-10,14,22H,7,11H2,1-4H3;9-12H,3-8H2,1-2H3,(H,21,22,25);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);1-9H,(H,17,18)/t24-,25-;14-;;;/m00.../s1
InChIKeyVQOQTVULXGTDDV-CFABUDOSSA-N
MW1754.09 g/mol
LogP15.07
Rot. Bonds22

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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one

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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 161371980) has the molecular formula C98H108N14O15S and a molecular weight of 1754.09 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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound NameN-[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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID161371980
Molecular FormulaC98H108N14O15S
Molecular Weight1754.09 g/mol
Exact Mass1752.78
IUPAC NameN-[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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCOc1cnccc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1.COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COc1ccc(C2=N[C@H](CO)Cc3cc(OC)c(OC)cc32)cc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.O=c1c2[nH]cnc2c2cccnc2n1-c1ccccc1
InChIInChI=1S/C28H31N3O4S.C20H23NO5.C19H23N5O2.C16H21NO3.C15H10N4O/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;1-23-16-6-5-12(8-17(16)24-2)20-15-10-19(26-4)18(25-3)9-13(15)7-14(11-22)21-20;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;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;20-15-13-12(17-9-18-13)11-7-4-8-16-14(11)19(15)10-5-2-1-3-6-10/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3;5-6,8-10,14,22H,7,11H2,1-4H3;9-12H,3-8H2,1-2H3,(H,21,22,25);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);1-9H,(H,17,18)/t24-,25-;14-;;;/m00.../s1
InChIKeyVQOQTVULXGTDDV-CFABUDOSSA-N
XLogP15.07
TPSA346.56 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001754.09
LogP ≤ 515.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one with MolForge

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Related Compounds

N-ethyl-4-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-carbonyl]benzenesulfonamide;imidazo[1,2-a]pyridin-2-yl-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;[3-methoxy-4-(3-methylbutoxy)phenyl]-[2-(2,2,2-trifluoroethyl)spiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 160712001
N-[4-[(4aS,10bS)-8,9-dimethoxy-2-methyl-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl]phenyl]-4-methylbenzenesulfonamide;1-cyclopentyl-6-(3-ethoxy-4-pyridinyl)-3-ethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one
CID 157878159
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
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione;2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 159554937
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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;methyl 3-(3-benzyl-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl)benzoate;5-phenyl-3H-imidazo[4,5-c]quinolin-4-one
CID 160902086

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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?
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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one (CID 161371980) 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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one.
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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?
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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one is CCOc1cnccc1-c1nc2c(c(CC)nn2C2CCCC2)c(=O)[nH]1.COc1cc2c(cc1OC)[C@@H]1CN(C)CC[C@@H]1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COc1ccc(C2=N[C@H](CO)Cc3cc(OC)c(OC)cc32)cc1OC.COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1.O=c1c2[nH]cnc2c2cccnc2n1-c1ccccc1.
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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is VQOQTVULXGTDDV-CFABUDOSSA-N. The full InChI is InChI=1S/C28H31N3O4S.C20H23NO5.C19H23N5O2.C16H21NO3.C15H10N4O/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;1-23-16-6-5-12(8-17(16)24-2)20-15-10-19(26-4)18(25-3)9-13(15)7-14(11-22)21-20;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;1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13;20-15-13-12(17-9-18-13)11-7-4-8-16-14(11)19(15)10-5-2-1-3-6-10/h5-12,15-16,24-25,30H,13-14,17H2,1-4H3;5-6,8-10,14,22H,7,11H2,1-4H3;9-12H,3-8H2,1-2H3,(H,21,22,25);6-8,12-13H,2-5,9-10H2,1H3,(H,17,18);1-9H,(H,17,18)/t24-,25-;14-;;;/m00.../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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one?
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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 1754.09 g/mol, XLogP of 15.07, 22 rotatable bonds, 5 hydrogen bond donors, and 25 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;4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one;[(3S)-1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol;5-phenyl-3H-imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 161371980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).