6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one

C114H79N31O7S6 — CID 158206421

IUPAC6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)[nH]c1C.Cc1cc(C)c(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)[nH]1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1C.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)o1.Cn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1.O=c1cc[nH]c2nc(-c3cn[nH]n3)c(-c3ccc4ncsc4c3)cc12
InChIInChI=1S/2C21H16N4OS.C19H14N6OS.C18H12N6OS.C18H11N5O2S.C17H10N6OS/c1-11-7-17(24-12(11)2)20-14(9-15-18(26)5-6-22-21(15)25-20)13-3-4-16-19(8-13)27-10-23-16;1-11-7-12(2)24-19(11)20-14(9-15-17(26)5-6-22-21(15)25-20)13-3-4-16-18(8-13)27-10-23-16;1-10-23-24-19(25(10)2)17-12(8-13-15(26)5-6-20-18(13)22-17)11-3-4-14-16(7-11)27-9-21-14;1-24-21-8-14(23-24)17-11(7-12-15(25)4-5-19-18(12)22-17)10-2-3-13-16(6-10)26-9-20-13;1-9-22-23-18(25-9)16-11(7-12-14(24)4-5-19-17(12)21-16)10-2-3-13-15(6-10)26-8-20-13;24-14-3-4-18-17-11(14)6-10(16(21-17)13-7-20-23-22-13)9-1-2-12-15(5-9)25-8-19-12/h2*3-10,24H,1-2H3,(H,22,25,26);3-9H,1-2H3,(H,20,22,26);2-9H,1H3,(H,19,22,25);2-8H,1H3,(H,19,21,24);1-8H,(H,18,21,24)(H,20,22,23)
InChIKeyGBNYNSQFJNFKHJ-UHFFFAOYSA-N
MW2187.50 g/mol
LogP22.47
Rot. Bonds12

About 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one

6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 158206421) has the molecular formula C114H79N31O7S6 and a molecular weight of 2187.50 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
PubChem CID158206421
Molecular FormulaC114H79N31O7S6
Molecular Weight2187.50 g/mol
Exact Mass2185.51
IUPAC Name6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)[nH]c1C.Cc1cc(C)c(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)[nH]1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1C.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)o1.Cn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1.O=c1cc[nH]c2nc(-c3cn[nH]n3)c(-c3ccc4ncsc4c3)cc12
InChIInChI=1S/2C21H16N4OS.C19H14N6OS.C18H12N6OS.C18H11N5O2S.C17H10N6OS/c1-11-7-17(24-12(11)2)20-14(9-15-18(26)5-6-22-21(15)25-20)13-3-4-16-19(8-13)27-10-23-16;1-11-7-12(2)24-19(11)20-14(9-15-17(26)5-6-22-21(15)25-20)13-3-4-16-18(8-13)27-10-23-16;1-10-23-24-19(25(10)2)17-12(8-13-15(26)5-6-20-18(13)22-17)11-3-4-14-16(7-11)27-9-21-14;1-24-21-8-14(23-24)17-11(7-12-15(25)4-5-19-18(12)22-17)10-2-3-13-16(6-10)26-9-20-13;1-9-22-23-18(25-9)16-11(7-12-14(24)4-5-19-17(12)21-16)10-2-3-13-15(6-10)26-8-20-13;24-14-3-4-18-17-11(14)6-10(16(21-17)13-7-20-23-22-13)9-1-2-12-15(5-9)25-8-19-12/h2*3-10,24H,1-2H3,(H,22,25,26);3-9H,1-2H3,(H,20,22,26);2-9H,1H3,(H,19,22,25);2-8H,1H3,(H,19,21,24);1-8H,(H,18,21,24)(H,20,22,23)
InChIKeyGBNYNSQFJNFKHJ-UHFFFAOYSA-N
XLogP22.47
TPSA525.33 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds12
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002187.50
LogP ≤ 522.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[4-[3,5-Bis[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]phenyl]-5-naphthalen-1-ylphenyl]-1,3-benzothiazole;2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]phenyl]-5-pyridin-3-yl-1,3,4-oxadiazole;2-[3-[3-(1-phenylbenzimidazol-2-yl)-5-pyridin-3-ylphenyl]-5-pyridin-3-ylphenyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 158907544
7-(3,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1H-pyrrol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-oxadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1,3,4-thiadiazol-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(2-methyltriazol-4-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;6-quinolin-6-yl-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one
CID 158332643
CID 158351703
CID 158351703
CID 158580245
CID 158580245
6-imidazol-1-yl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(4-methylimidazol-1-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(1-methylpyrazol-3-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2H-tetrazol-5-yl)-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(1,3-thiazol-5-yl)-2,7-naphthyridin-1-amine
CID 158669295
CID 159014548
CID 159014548
tert-butyl 5-propan-2-yl-2,3-dihydroindole-1-carboxylate;2,3-dimethyl-6-propan-2-ylimidazo[1,2-a]pyridine;N,N-dimethyl-1-(6-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methanamine;ethyl 6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylate;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;1-methyl-5-propan-2-ylindole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;5-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-ylimidazo[1,2-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyrimidine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yltetrazolo[1,5-a]pyridine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 159637373
benzyl 4-[(1,3-benzothiazole-2-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 4-[(7H-purine-6-carbonylamino)methyl]piperidine-1-carboxylate;benzyl 4-[(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)methyl]piperidine-1-carboxylate;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-3H-benzimidazole-5-carboxamide;N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-7H-purine-6-carboxamide
CID 159765314
4-(1-benzyltriazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-(2,3-dimethylimidazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;12-[4-(piperidin-1-ylmethyl)phenyl]-4-(3H-pyrazol-5-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole;2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-thiadiazole;12-[4-(piperidin-1-ylmethyl)phenyl]-4-(3H-1,2,4-triazol-5-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159826250
6-(1,3-benzothiazol-6-yl)-7-(2-methyl-1H-imidazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-imidazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(4,5-dimethyl-1,2,4-triazol-3-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(5-methyl-1H-1,2,4-triazol-3-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 160395591
1-[2-Tert-butyl-4-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)-1,3-thiazol-5-yl]-3-[4-methyl-3-[6-(morpholin-4-ylmethyl)-3-pyridinyl]phenyl]urea;5-[5-[[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]carbamoylamino]-2-methylphenyl]pyridine-2-carboxamide;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[3-(6-imidazol-1-yl-3-pyridinyl)-4-methylphenyl]urea;1-[5-tert-butyl-3-(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)thiophen-2-yl]-3-[4-methyl-3-[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridinyl]phenyl]urea
CID 161670593
4-(1-Benzyltriazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;4-(2,3-dimethylimidazol-4-yl)-12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;3,5-dimethyl-4-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,2-oxazole;2-methyl-5-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3-thiazole;2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-oxadiazole;2-[12-[4-(piperidin-1-ylmethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-1,3,4-thiadiazole
CID 161697816

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one (CID 158206421) is 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one is Cc1cc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)[nH]c1C.Cc1cc(C)c(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)[nH]1.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1C.Cc1nnc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)o1.Cn1ncc(-c2nc3[nH]ccc(=O)c3cc2-c2ccc3ncsc3c2)n1.O=c1cc[nH]c2nc(-c3cn[nH]n3)c(-c3ccc4ncsc4c3)cc12.
What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is GBNYNSQFJNFKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H16N4OS.C19H14N6OS.C18H12N6OS.C18H11N5O2S.C17H10N6OS/c1-11-7-17(24-12(11)2)20-14(9-15-18(26)5-6-22-21(15)25-20)13-3-4-16-19(8-13)27-10-23-16;1-11-7-12(2)24-19(11)20-14(9-15-17(26)5-6-22-21(15)25-20)13-3-4-16-18(8-13)27-10-23-16;1-10-23-24-19(25(10)2)17-12(8-13-15(26)5-6-20-18(13)22-17)11-3-4-14-16(7-11)27-9-21-14;1-24-21-8-14(23-24)17-11(7-12-15(25)4-5-19-18(12)22-17)10-2-3-13-16(6-10)26-9-20-13;1-9-22-23-18(25-9)16-11(7-12-14(24)4-5-19-17(12)21-16)10-2-3-13-15(6-10)26-8-20-13;24-14-3-4-18-17-11(14)6-10(16(21-17)13-7-20-23-22-13)9-1-2-12-15(5-9)25-8-19-12/h2*3-10,24H,1-2H3,(H,22,25,26);3-9H,1-2H3,(H,20,22,26);2-9H,1H3,(H,19,22,25);2-8H,1H3,(H,19,21,24);1-8H,(H,18,21,24)(H,20,22,23).
What are the key properties of 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one?
6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 2187.50 g/mol, XLogP of 22.47, 12 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-6-yl)-7-(3,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1H-pyrrol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(4,5-dimethyl-1,2,4-triazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(5-methyl-1,3,4-oxadiazol-2-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2-methyltriazol-4-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzothiazol-6-yl)-7-(2H-triazol-4-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 158206421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).