9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

C151H126F15N23O13S — CID 159063534

IUPAC9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
SMILESCOc1nc(C)ccc1-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(C(F)(F)F)c4)c3c2c1.COc1nc(C)ncc1-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(C(F)(F)F)c4)c3c2c1.CS(=O)(=O)Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cc1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)OCCO5)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)OCO5)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C31H27F3N4O3S.C31H25F3N4O3.C30H26F3N5O2.C30H23F3N4O3.C29H25F3N6O2/c1-42(40,41)19-20-2-4-21(5-3-20)22-6-9-27-25(16-22)30-23(18-36-27)7-11-29(39)38(30)24-8-10-28(26(17-24)31(32,33)34)37-14-12-35-13-15-37;32-31(33,34)24-17-22(4-6-26(24)37-11-9-35-10-12-37)38-29(39)8-3-21-18-36-25-5-1-19(15-23(25)30(21)38)20-2-7-27-28(16-20)41-14-13-40-27;1-18-3-7-22(29(36-18)40-2)19-4-8-25-23(15-19)28-20(17-35-25)5-10-27(39)38(28)21-6-9-26(24(16-21)30(31,32)33)37-13-11-34-12-14-37;31-30(32,33)23-15-21(4-6-25(23)36-11-9-34-10-12-36)37-28(38)8-3-20-16-35-24-5-1-18(13-22(24)29(20)37)19-2-7-26-27(14-19)40-17-39-26;1-17-34-16-22(28(36-17)40-2)18-3-6-24-21(13-18)27-19(15-35-24)4-8-26(39)38(27)20-5-7-25(23(14-20)29(30,31)32)37-11-9-33-10-12-37/h2-11,16-18,35H,12-15,19H2,1H3;1-8,15-18,35H,9-14H2;3-10,15-17,34H,11-14H2,1-2H3;1-8,13-16,34H,9-12,17H2;3-8,13-16,33H,9-12H2,1-2H3
InChIKeyJYTRJXVMWANCAB-UHFFFAOYSA-N
MW2787.85 g/mol
LogP26.04
Rot. Bonds19

About 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (PubChem CID 159063534) has the molecular formula C151H126F15N23O13S and a molecular weight of 2787.85 g/mol. Its IUPAC name is 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
PubChem CID159063534
Molecular FormulaC151H126F15N23O13S
Molecular Weight2787.85 g/mol
Exact Mass2785.94
IUPAC Name9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
SMILESCOc1nc(C)ccc1-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(C(F)(F)F)c4)c3c2c1.COc1nc(C)ncc1-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(C(F)(F)F)c4)c3c2c1.CS(=O)(=O)Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cc1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)OCCO5)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)OCO5)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C31H27F3N4O3S.C31H25F3N4O3.C30H26F3N5O2.C30H23F3N4O3.C29H25F3N6O2/c1-42(40,41)19-20-2-4-21(5-3-20)22-6-9-27-25(16-22)30-23(18-36-27)7-11-29(39)38(30)24-8-10-28(26(17-24)31(32,33)34)37-14-12-35-13-15-37;32-31(33,34)24-17-22(4-6-26(24)37-11-9-35-10-12-37)38-29(39)8-3-21-18-36-25-5-1-19(15-23(25)30(21)38)20-2-7-27-28(16-20)41-14-13-40-27;1-18-3-7-22(29(36-18)40-2)19-4-8-25-23(15-19)28-20(17-35-25)5-10-27(39)38(28)21-6-9-26(24(16-21)30(31,32)33)37-13-11-34-12-14-37;31-30(32,33)23-15-21(4-6-25(23)36-11-9-34-10-12-36)37-28(38)8-3-20-16-35-24-5-1-18(13-22(24)29(20)37)19-2-7-26-27(14-19)40-17-39-26;1-17-34-16-22(28(36-17)40-2)18-3-6-24-21(13-18)27-19(15-35-24)4-8-26(39)38(27)20-5-7-25(23(14-20)29(30,31)32)37-11-9-33-10-12-37/h2-11,16-18,35H,12-15,19H2,1H3;1-8,15-18,35H,9-14H2;3-10,15-17,34H,11-14H2,1-2H3;1-8,13-16,34H,9-12,17H2;3-8,13-16,33H,9-12H2,1-2H3
InChIKeyJYTRJXVMWANCAB-UHFFFAOYSA-N
XLogP26.04
TPSA378.99 Ų
H-Bond Donors5
H-Bond Acceptors36
Rotatable Bonds19
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002787.85
LogP ≤ 526.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one with MolForge

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Related Compounds

9-(1,3-Benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 158929037
3-[2-(2-amino-6,7-dimethoxyquinazolin-4-yl)ethynyl]-4-methyl-N-(2-piperidin-1-ylethyl)benzamide;3-[2-(3-amino-6-fluoroisoquinolin-4-yl)ethynyl]-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-4-methylbenzamide;5-[2-(3-amino-6-fluoroisoquinolin-4-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;3-[2-(6,7-dimethoxyquinazolin-4-yl)ethynyl]-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 159903396
9-(1,3-Benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 160031978
4-(1,3-benzodioxol-5-ylmethyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine;4-[[3-(tert-butylsulfonylmethyl)-4-chlorophenyl]methyl]-5-methyl-N-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-[[4-chloro-3-[(1-methylcyclopropyl)sulfonylmethyl]phenyl]methyl]-N-[3,5-difluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-methylpyrimidin-2-amine;4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 162040981

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (CID 159063534) is 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is COc1nc(C)ccc1-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(C(F)(F)F)c4)c3c2c1.COc1nc(C)ncc1-c1ccc2ncc3ccc(=O)n(-c4ccc(N5CCNCC5)c(C(F)(F)F)c4)c3c2c1.CS(=O)(=O)Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCNCC6)c(C(F)(F)F)c5)c4c3c2)cc1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)OCCO5)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4ccc5c(c4)OCO5)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
The InChIKey is JYTRJXVMWANCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F3N4O3S.C31H25F3N4O3.C30H26F3N5O2.C30H23F3N4O3.C29H25F3N6O2/c1-42(40,41)19-20-2-4-21(5-3-20)22-6-9-27-25(16-22)30-23(18-36-27)7-11-29(39)38(30)24-8-10-28(26(17-24)31(32,33)34)37-14-12-35-13-15-37;32-31(33,34)24-17-22(4-6-26(24)37-11-9-35-10-12-37)38-29(39)8-3-21-18-36-25-5-1-19(15-23(25)30(21)38)20-2-7-27-28(16-20)41-14-13-40-27;1-18-3-7-22(29(36-18)40-2)19-4-8-25-23(15-19)28-20(17-35-25)5-10-27(39)38(28)21-6-9-26(24(16-21)30(31,32)33)37-13-11-34-12-14-37;31-30(32,33)23-15-21(4-6-25(23)36-11-9-34-10-12-36)37-28(38)8-3-20-16-35-24-5-1-18(13-22(24)29(20)37)19-2-7-26-27(14-19)40-17-39-26;1-17-34-16-22(28(36-17)40-2)18-3-6-24-21(13-18)27-19(15-35-24)4-8-26(39)38(27)20-5-7-25(23(14-20)29(30,31)32)37-11-9-33-10-12-37/h2-11,16-18,35H,12-15,19H2,1H3;1-8,15-18,35H,9-14H2;3-10,15-17,34H,11-14H2,1-2H3;1-8,13-16,34H,9-12,17H2;3-8,13-16,33H,9-12H2,1-2H3.
What are the key properties of 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?
9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2787.85 g/mol, XLogP of 26.04, 19 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzodioxol-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(2-methoxy-6-methyl-3-pyridinyl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(4-methoxy-2-methylpyrimidin-5-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-[4-(methylsulfonylmethyl)phenyl]-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159063534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).