6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine

C158H141F3N26O3S — CID 160792075

IUPAC6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine
SMILESCc1cccc(-c2ccc(CNc3nccc4cc(-c5ccnnc5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cnccn5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCN(C)CC5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCOCC5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCS(=O)(=O)CC5)ncc34)cc2)c1.Fc1cccc(-c2cc3ccnc(NCc4ccc(-c5cccc(F)c5)c(F)c4)c3cn2)c1
InChIInChI=1S/C27H18F3N3.C27H29N5.2C26H21N5.C26H26N4O2S.C26H26N4O/c28-21-5-1-3-18(12-21)23-8-7-17(11-25(23)30)15-33-27-24-16-32-26(14-19(24)9-10-31-27)20-4-2-6-22(29)13-20;1-20-4-3-5-23(16-20)22-8-6-21(7-9-22)18-30-27-25-19-29-26(17-24(25)10-11-28-27)32-14-12-31(2)13-15-32;1-18-3-2-4-21(13-18)20-7-5-19(6-8-20)15-29-26-24-17-28-25(14-22(24)9-11-27-26)23-10-12-30-31-16-23;1-18-3-2-4-21(13-18)20-7-5-19(6-8-20)15-31-26-23-16-30-24(14-22(23)9-10-29-26)25-17-27-11-12-28-25;1-19-3-2-4-22(15-19)21-7-5-20(6-8-21)17-29-26-24-18-28-25(16-23(24)9-10-27-26)30-11-13-33(31,32)14-12-30;1-19-3-2-4-22(15-19)21-7-5-20(6-8-21)17-29-26-24-18-28-25(16-23(24)9-10-27-26)30-11-13-31-14-12-30/h1-14,16H,15H2,(H,31,33);3-11,16-17,19H,12-15,18H2,1-2H3,(H,28,30);2-14,16-17H,15H2,1H3,(H,27,29);2-14,16-17H,15H2,1H3,(H,29,31);2-10,15-16,18H,11-14,17H2,1H3,(H,27,29);2-10,15-16,18H,11-14,17H2,1H3,(H,27,29)
InChIKeySBYOIQPYLJLODB-UHFFFAOYSA-N
MW2541.11 g/mol
LogP32.82
Rot. Bonds30

About 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine

6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine (PubChem CID 160792075) has the molecular formula C158H141F3N26O3S and a molecular weight of 2541.11 g/mol. Its IUPAC name is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine
PubChem CID160792075
Molecular FormulaC158H141F3N26O3S
Molecular Weight2541.11 g/mol
Exact Mass2539.14
IUPAC Name6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine
SMILESCc1cccc(-c2ccc(CNc3nccc4cc(-c5ccnnc5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cnccn5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCN(C)CC5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCOCC5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCS(=O)(=O)CC5)ncc34)cc2)c1.Fc1cccc(-c2cc3ccnc(NCc4ccc(-c5cccc(F)c5)c(F)c4)c3cn2)c1
InChIInChI=1S/C27H18F3N3.C27H29N5.2C26H21N5.C26H26N4O2S.C26H26N4O/c28-21-5-1-3-18(12-21)23-8-7-17(11-25(23)30)15-33-27-24-16-32-26(14-19(24)9-10-31-27)20-4-2-6-22(29)13-20;1-20-4-3-5-23(16-20)22-8-6-21(7-9-22)18-30-27-25-19-29-26(17-24(25)10-11-28-27)32-14-12-31(2)13-15-32;1-18-3-2-4-21(13-18)20-7-5-19(6-8-20)15-29-26-24-17-28-25(14-22(24)9-11-27-26)23-10-12-30-31-16-23;1-18-3-2-4-21(13-18)20-7-5-19(6-8-20)15-31-26-23-16-30-24(14-22(23)9-10-29-26)25-17-27-11-12-28-25;1-19-3-2-4-22(15-19)21-7-5-20(6-8-21)17-29-26-24-18-28-25(16-23(24)9-10-27-26)30-11-13-33(31,32)14-12-30;1-19-3-2-4-22(15-19)21-7-5-20(6-8-21)17-29-26-24-18-28-25(16-23(24)9-10-27-26)30-11-13-31-14-12-30/h1-14,16H,15H2,(H,31,33);3-11,16-17,19H,12-15,18H2,1-2H3,(H,28,30);2-14,16-17H,15H2,1H3,(H,27,29);2-14,16-17H,15H2,1H3,(H,29,31);2-10,15-16,18H,11-14,17H2,1H3,(H,27,29);2-10,15-16,18H,11-14,17H2,1H3,(H,27,29)
InChIKeySBYOIQPYLJLODB-UHFFFAOYSA-N
XLogP32.82
TPSA334.75 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds30
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002541.11
LogP ≤ 532.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine (CID 160792075) is 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine is Cc1cccc(-c2ccc(CNc3nccc4cc(-c5ccnnc5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(-c5cnccn5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCN(C)CC5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCOCC5)ncc34)cc2)c1.Cc1cccc(-c2ccc(CNc3nccc4cc(N5CCS(=O)(=O)CC5)ncc34)cc2)c1.Fc1cccc(-c2cc3ccnc(NCc4ccc(-c5cccc(F)c5)c(F)c4)c3cn2)c1.
What is the InChIKey of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine?
The InChIKey is SBYOIQPYLJLODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3.C27H29N5.2C26H21N5.C26H26N4O2S.C26H26N4O/c28-21-5-1-3-18(12-21)23-8-7-17(11-25(23)30)15-33-27-24-16-32-26(14-19(24)9-10-31-27)20-4-2-6-22(29)13-20;1-20-4-3-5-23(16-20)22-8-6-21(7-9-22)18-30-27-25-19-29-26(17-24(25)10-11-28-27)32-14-12-31(2)13-15-32;1-18-3-2-4-21(13-18)20-7-5-19(6-8-20)15-29-26-24-17-28-25(14-22(24)9-11-27-26)23-10-12-30-31-16-23;1-18-3-2-4-21(13-18)20-7-5-19(6-8-20)15-31-26-23-16-30-24(14-22(23)9-10-29-26)25-17-27-11-12-28-25;1-19-3-2-4-22(15-19)21-7-5-20(6-8-21)17-29-26-24-18-28-25(16-23(24)9-10-27-26)30-11-13-33(31,32)14-12-30;1-19-3-2-4-22(15-19)21-7-5-20(6-8-21)17-29-26-24-18-28-25(16-23(24)9-10-27-26)30-11-13-31-14-12-30/h1-14,16H,15H2,(H,31,33);3-11,16-17,19H,12-15,18H2,1-2H3,(H,28,30);2-14,16-17H,15H2,1H3,(H,27,29);2-14,16-17H,15H2,1H3,(H,29,31);2-10,15-16,18H,11-14,17H2,1H3,(H,27,29);2-10,15-16,18H,11-14,17H2,1H3,(H,27,29).
What are the key properties of 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine?
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine has a molecular weight of 2541.11 g/mol, XLogP of 32.82, 30 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(3-methylphenyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[3-fluoro-4-(3-fluorophenyl)phenyl]methyl]-6-(3-fluorophenyl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-(4-methylpiperazin-1-yl)-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-morpholin-4-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyrazin-2-yl-2,7-naphthyridin-1-amine;N-[[4-(3-methylphenyl)phenyl]methyl]-6-pyridazin-4-yl-2,7-naphthyridin-1-amine is sourced from PubChem (CID 160792075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).