1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one

C123H119Cl2F6N23O7 — CID 158100660

IUPAC1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCCCC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CCN(C)C)nc1.CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc21.CCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc21.CCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C31H37N5O2.C29H36N6O2.C21H15Cl2FN4O.C21H15F3N4O.C21H16F2N4O/c1-3-35(4-2)17-18-38-26-15-16-29(33-22-26)34-30-20-28-24(21-32-30)19-27(23-11-7-5-8-12-23)31(37)36(28)25-13-9-6-10-14-25;1-5-34(6-2)16-17-37-24-12-13-27(31-21-24)32-28-19-26-23(20-30-28)18-25(22-10-8-7-9-11-22)29(36)35(26)15-14-33(3)4;1-2-28-17-9-19(27-18-7-6-13(24)11-26-18)25-10-12(17)8-14(21(28)29)20-15(22)4-3-5-16(20)23;1-2-28-17-9-19(27-18-7-6-13(22)11-26-18)25-10-12(17)8-14(21(28)29)20-15(23)4-3-5-16(20)24;1-2-27-18-10-20(26-19-8-7-14(22)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)23/h5,7-8,11-12,15-16,19-22,25H,3-4,6,9-10,13-14,17-18H2,1-2H3,(H,32,33,34);7-13,18-21H,5-6,14-17H2,1-4H3,(H,30,31,32);2*3-11H,2H2,1H3,(H,25,26,27);3-12H,2H2,1H3,(H,24,25,26)
InChIKeyFPFGTAFHAGBCKR-UHFFFAOYSA-N
MW2216.35 g/mol
LogP25.72
Rot. Bonds34

About 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one

1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one (PubChem CID 158100660) has the molecular formula C123H119Cl2F6N23O7 and a molecular weight of 2216.35 g/mol. Its IUPAC name is 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
PubChem CID158100660
Molecular FormulaC123H119Cl2F6N23O7
Molecular Weight2216.35 g/mol
Exact Mass2213.89
IUPAC Name1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one
SMILESCCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCCCC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CCN(C)C)nc1.CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc21.CCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc21.CCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(F)cn3)cc21
InChIInChI=1S/C31H37N5O2.C29H36N6O2.C21H15Cl2FN4O.C21H15F3N4O.C21H16F2N4O/c1-3-35(4-2)17-18-38-26-15-16-29(33-22-26)34-30-20-28-24(21-32-30)19-27(23-11-7-5-8-12-23)31(37)36(28)25-13-9-6-10-14-25;1-5-34(6-2)16-17-37-24-12-13-27(31-21-24)32-28-19-26-23(20-30-28)18-25(22-10-8-7-9-11-22)29(36)35(26)15-14-33(3)4;1-2-28-17-9-19(27-18-7-6-13(24)11-26-18)25-10-12(17)8-14(21(28)29)20-15(22)4-3-5-16(20)23;1-2-28-17-9-19(27-18-7-6-13(22)11-26-18)25-10-12(17)8-14(21(28)29)20-15(23)4-3-5-16(20)24;1-2-27-18-10-20(26-19-8-7-14(22)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)23/h5,7-8,11-12,15-16,19-22,25H,3-4,6,9-10,13-14,17-18H2,1-2H3,(H,32,33,34);7-13,18-21H,5-6,14-17H2,1-4H3,(H,30,31,32);2*3-11H,2H2,1H3,(H,25,26,27);3-12H,2H2,1H3,(H,24,25,26)
InChIKeyFPFGTAFHAGBCKR-UHFFFAOYSA-N
XLogP25.72
TPSA327.23 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds34
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002216.35
LogP ≤ 525.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one (CID 158100660) is 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one is CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3C2CCCCC2)nc1.CCN(CC)CCOc1ccc(Nc2cc3c(cn2)cc(-c2ccccc2)c(=O)n3CCN(C)C)nc1.CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(F)cn3)cc21.CCn1c(=O)c(-c2c(F)cccc2F)cc2cnc(Nc3ccc(F)cn3)cc21.CCn1c(=O)c(-c2ccccc2F)cc2cnc(Nc3ccc(F)cn3)cc21.
What is the InChIKey of 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
The InChIKey is FPFGTAFHAGBCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O2.C29H36N6O2.C21H15Cl2FN4O.C21H15F3N4O.C21H16F2N4O/c1-3-35(4-2)17-18-38-26-15-16-29(33-22-26)34-30-20-28-24(21-32-30)19-27(23-11-7-5-8-12-23)31(37)36(28)25-13-9-6-10-14-25;1-5-34(6-2)16-17-37-24-12-13-27(31-21-24)32-28-19-26-23(20-30-28)18-25(22-10-8-7-9-11-22)29(36)35(26)15-14-33(3)4;1-2-28-17-9-19(27-18-7-6-13(24)11-26-18)25-10-12(17)8-14(21(28)29)20-15(22)4-3-5-16(20)23;1-2-28-17-9-19(27-18-7-6-13(22)11-26-18)25-10-12(17)8-14(21(28)29)20-15(23)4-3-5-16(20)24;1-2-27-18-10-20(26-19-8-7-14(22)12-25-19)24-11-13(18)9-16(21(27)28)15-5-3-4-6-17(15)23/h5,7-8,11-12,15-16,19-22,25H,3-4,6,9-10,13-14,17-18H2,1-2H3,(H,32,33,34);7-13,18-21H,5-6,14-17H2,1-4H3,(H,30,31,32);2*3-11H,2H2,1H3,(H,25,26,27);3-12H,2H2,1H3,(H,24,25,26).
What are the key properties of 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one?
1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one has a molecular weight of 2216.35 g/mol, XLogP of 25.72, 34 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-dichlorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;7-[[5-[2-(diethylamino)ethoxy]-2-pyridinyl]amino]-1-[2-(dimethylamino)ethyl]-3-phenyl-1,6-naphthyridin-2-one;3-(2,6-difluorophenyl)-1-ethyl-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one;1-ethyl-3-(2-fluorophenyl)-7-[(5-fluoro-2-pyridinyl)amino]-1,6-naphthyridin-2-one is sourced from PubChem (CID 158100660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).