1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one

C138H155F5N34O13S5 — CID 159196280

IUPAC1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one
SMILESCC1CCCN1CCNc1nc2c(cc1F)c(=O)c(C(=O)N1CCOCC1)cn2-c1nc2ccccc2s1.CN1CCN(C(=O)c2cn(-c3nc4ccccc4s3)c3nc(NCCCN4CCOCC4)c(F)cc3c2=O)CC1.CN1CCN(C(=O)c2cn(-c3nc4ccccc4s3)c3nc(NCCN4CCCC4)c(F)cc3c2=O)CC1.CN1CCN(CCCNc2nc3c(cc2F)c(=O)c(C(=O)NCCN2CCCC2)cn3-c2nc3ccccc3s2)CC1.O=C(c1cn(-c2nc3ccccc3s2)c2nc(NCCN3CCCC3)c(F)cc2c1=O)N1CCOCC1
InChIInChI=1S/C30H37FN8O2S.C28H32FN7O3S.C27H30FN7O2S.C27H29FN6O3S.C26H27FN6O3S/c1-36-15-17-38(18-16-36)13-6-9-32-27-23(31)19-21-26(40)22(29(41)33-10-14-37-11-4-5-12-37)20-39(28(21)35-27)30-34-24-7-2-3-8-25(24)42-30;1-33-9-11-35(12-10-33)27(38)20-18-36(28-31-22-5-2-3-6-23(22)40-28)26-19(24(20)37)17-21(29)25(32-26)30-7-4-8-34-13-15-39-16-14-34;1-32-12-14-34(15-13-32)26(37)19-17-35(27-30-21-6-2-3-7-22(21)38-27)25-18(23(19)36)16-20(28)24(31-25)29-8-11-33-9-4-5-10-33;1-17-5-4-9-32(17)10-8-29-24-20(28)15-18-23(35)19(26(36)33-11-13-37-14-12-33)16-34(25(18)31-24)27-30-21-6-2-3-7-22(21)38-27;27-19-15-17-22(34)18(25(35)32-11-13-36-14-12-32)16-33(26-29-20-5-1-2-6-21(20)37-26)24(17)30-23(19)28-7-10-31-8-3-4-9-31/h2-3,7-8,19-20H,4-6,9-18H2,1H3,(H,32,35)(H,33,41);2-3,5-6,17-18H,4,7-16H2,1H3,(H,30,32);2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,29,31);2-3,6-7,15-17H,4-5,8-14H2,1H3,(H,29,31);1-2,5-6,15-16H,3-4,7-14H2,(H,28,30)
InChIKeyKORWUDVAXHHBFR-UHFFFAOYSA-N
MW2753.31 g/mol
LogP15.31
Rot. Bonds35

About 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one

1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one (PubChem CID 159196280) has the molecular formula C138H155F5N34O13S5 and a molecular weight of 2753.31 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one
PubChem CID159196280
Molecular FormulaC138H155F5N34O13S5
Molecular Weight2753.31 g/mol
Exact Mass2751.10
IUPAC Name1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one
SMILESCC1CCCN1CCNc1nc2c(cc1F)c(=O)c(C(=O)N1CCOCC1)cn2-c1nc2ccccc2s1.CN1CCN(C(=O)c2cn(-c3nc4ccccc4s3)c3nc(NCCCN4CCOCC4)c(F)cc3c2=O)CC1.CN1CCN(C(=O)c2cn(-c3nc4ccccc4s3)c3nc(NCCN4CCCC4)c(F)cc3c2=O)CC1.CN1CCN(CCCNc2nc3c(cc2F)c(=O)c(C(=O)NCCN2CCCC2)cn3-c2nc3ccccc3s2)CC1.O=C(c1cn(-c2nc3ccccc3s2)c2nc(NCCN3CCCC3)c(F)cc2c1=O)N1CCOCC1
InChIInChI=1S/C30H37FN8O2S.C28H32FN7O3S.C27H30FN7O2S.C27H29FN6O3S.C26H27FN6O3S/c1-36-15-17-38(18-16-36)13-6-9-32-27-23(31)19-21-26(40)22(29(41)33-10-14-37-11-4-5-12-37)20-39(28(21)35-27)30-34-24-7-2-3-8-25(24)42-30;1-33-9-11-35(12-10-33)27(38)20-18-36(28-31-22-5-2-3-6-23(22)40-28)26-19(24(20)37)17-21(29)25(32-26)30-7-4-8-34-13-15-39-16-14-34;1-32-12-14-34(15-13-32)26(37)19-17-35(27-30-21-6-2-3-7-22(21)38-27)25-18(23(19)36)16-20(28)24(31-25)29-8-11-33-9-4-5-10-33;1-17-5-4-9-32(17)10-8-29-24-20(28)15-18-23(35)19(26(36)33-11-13-37-14-12-33)16-34(25(18)31-24)27-30-21-6-2-3-7-22(21)38-27;27-19-15-17-22(34)18(25(35)32-11-13-36-14-12-32)16-33(26-29-20-5-1-2-6-21(20)37-26)24(17)30-23(19)28-7-10-31-8-3-4-9-31/h2-3,7-8,19-20H,4-6,9-18H2,1H3,(H,32,35)(H,33,41);2-3,5-6,17-18H,4,7-16H2,1H3,(H,30,32);2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,29,31);2-3,6-7,15-17H,4-5,8-14H2,1H3,(H,29,31);1-2,5-6,15-16H,3-4,7-14H2,(H,28,30)
InChIKeyKORWUDVAXHHBFR-UHFFFAOYSA-N
XLogP15.31
TPSA466.24 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds35
Heavy Atoms195
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002753.31
LogP ≤ 515.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one with MolForge

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Related Compounds

1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide
CID 9960199
1-(1,3-Benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one
CID 11330504
1-(1,3-Benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one
CID 11489532
1-(1,3-Benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one
CID 11752764
4-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-2-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]pyridine-3-carboxamide;N-[1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide
CID 157799795
N-[2-(1H-indol-3-yl)ethyl]-N-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide;3-(1H-indol-3-ylmethyl)-1-[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-methyl-3-(trifluoromethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;4-(1H-indol-3-yl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-phenylbutan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[(3R,5R)-3,4,5-trimethylpiperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one
CID 158510520
4-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]morpholine-2-carboxamide;(3R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3R)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;(3S)-1-acetyl-N-[(2R)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]piperidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxoheptan-2-yl]-2-(trifluoromethyl)benzamide
CID 161958391
N-[(6S)-2-[(3aS,7aR)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;N-[(6S)-2-[(3aR,7aS)-7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3S,4R)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;3-amino-N-[(6S)-2-[(3R,4S)-3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167582679
N-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-3-fluoro-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;ethane;3-fluoro-N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-2-morpholin-4-yl-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 143786887
2-[4-acetyl-5-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[4-acetyl-5-(3-piperidin-1-ylpropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide;2-[4-acetyl-5-(3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-N-(1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinoline-8-carboxamide
CID 157192493
2,6-difluoro-N-[4-[2-methyl-5-(pyridine-3-carbonyl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(pyridine-4-carbonyl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[4-[3-methyl-5-(2-pyridin-3-ylethyl)thiophen-2-yl]phenyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(2-pyridin-3-ylethynyl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[4-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide;2,6-difluoro-N-[5-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-2-pyridin-3-yl-1,3-thiazol-4-yl)-2-pyridinyl]benzamide
CID 157729461
N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-(2-methoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(3-methylimidazol-4-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;2-(4-methyl-1,4-diazepan-1-yl)-5-oxo-N-(2-propan-2-yloxyethyl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide;N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-2-(5-propan-2-yl-1,4-diazepan-1-yl)-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide
CID 158045831

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one (CID 159196280) is 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one is CC1CCCN1CCNc1nc2c(cc1F)c(=O)c(C(=O)N1CCOCC1)cn2-c1nc2ccccc2s1.CN1CCN(C(=O)c2cn(-c3nc4ccccc4s3)c3nc(NCCCN4CCOCC4)c(F)cc3c2=O)CC1.CN1CCN(C(=O)c2cn(-c3nc4ccccc4s3)c3nc(NCCN4CCCC4)c(F)cc3c2=O)CC1.CN1CCN(CCCNc2nc3c(cc2F)c(=O)c(C(=O)NCCN2CCCC2)cn3-c2nc3ccccc3s2)CC1.O=C(c1cn(-c2nc3ccccc3s2)c2nc(NCCN3CCCC3)c(F)cc2c1=O)N1CCOCC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one?
The InChIKey is KORWUDVAXHHBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN8O2S.C28H32FN7O3S.C27H30FN7O2S.C27H29FN6O3S.C26H27FN6O3S/c1-36-15-17-38(18-16-36)13-6-9-32-27-23(31)19-21-26(40)22(29(41)33-10-14-37-11-4-5-12-37)20-39(28(21)35-27)30-34-24-7-2-3-8-25(24)42-30;1-33-9-11-35(12-10-33)27(38)20-18-36(28-31-22-5-2-3-6-23(22)40-28)26-19(24(20)37)17-21(29)25(32-26)30-7-4-8-34-13-15-39-16-14-34;1-32-12-14-34(15-13-32)26(37)19-17-35(27-30-21-6-2-3-7-22(21)38-27)25-18(23(19)36)16-20(28)24(31-25)29-8-11-33-9-4-5-10-33;1-17-5-4-9-32(17)10-8-29-24-20(28)15-18-23(35)19(26(36)33-11-13-37-14-12-33)16-34(25(18)31-24)27-30-21-6-2-3-7-22(21)38-27;27-19-15-17-22(34)18(25(35)32-11-13-36-14-12-32)16-33(26-29-20-5-1-2-6-21(20)37-26)24(17)30-23(19)28-7-10-31-8-3-4-9-31/h2-3,7-8,19-20H,4-6,9-18H2,1H3,(H,32,35)(H,33,41);2-3,5-6,17-18H,4,7-16H2,1H3,(H,30,32);2-3,6-7,16-17H,4-5,8-15H2,1H3,(H,29,31);2-3,6-7,15-17H,4-5,8-14H2,1H3,(H,29,31);1-2,5-6,15-16H,3-4,7-14H2,(H,28,30).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one?
1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one has a molecular weight of 2753.31 g/mol, XLogP of 15.31, 35 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(3-morpholin-4-ylpropylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(4-methylpiperazine-1-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-N-(2-pyrrolidin-1-ylethyl)-1,8-naphthyridine-3-carboxamide;1-(1,3-benzothiazol-2-yl)-6-fluoro-7-[2-(2-methylpyrrolidin-1-yl)ethylamino]-3-(morpholine-4-carbonyl)-1,8-naphthyridin-4-one;1-(1,3-benzothiazol-2-yl)-6-fluoro-3-(morpholine-4-carbonyl)-7-(2-pyrrolidin-1-ylethylamino)-1,8-naphthyridin-4-one is sourced from PubChem (CID 159196280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).