5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one

C136H102F5N19O2S4 — CID 159389989

IUPAC5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one
SMILESCC(=O)Nc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.Cc1cc(-c2ncc(NCc3cccc4cccnc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cccc4cnccc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc4ccccc4c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)ccc1F
InChIInChI=1S/3C29H21FN4S.C28H23FN4OS.C21H16FN3O/c1-18-12-21(7-9-25(18)30)29-24(20-8-10-26-27(13-20)35-17-34-26)14-23(16-33-29)32-15-22-5-2-4-19-6-3-11-31-28(19)22;1-18-11-20(5-7-26(18)30)29-25(19-6-8-27-28(12-19)35-17-34-27)13-23(16-33-29)32-15-22-4-2-3-21-14-31-10-9-24(21)22;1-18-10-22(6-8-25(18)30)29-24(20-7-9-27-28(12-20)35-17-34-27)13-23(16-33-29)31-14-19-11-21-4-2-3-5-26(21)32-15-19;1-17-11-21(5-9-25(17)29)28-24(20-6-10-26-27(12-20)35-16-32-26)13-23(15-31-28)30-14-19-3-7-22(8-4-19)33-18(2)34;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26)25(2)12-24-19/h2*2-14,16-17,32H,15H2,1H3;2-13,15-17,31H,14H2,1H3;3-13,15-16,30H,14H2,1-2H3,(H,33,34);3-12H,1-2H3
InChIKeyLLZHMSRPJGAJRR-UHFFFAOYSA-N
MW2257.70 g/mol
LogP34.05
Rot. Bonds23

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one (PubChem CID 159389989) has the molecular formula C136H102F5N19O2S4 and a molecular weight of 2257.70 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one
PubChem CID159389989
Molecular FormulaC136H102F5N19O2S4
Molecular Weight2257.70 g/mol
Exact Mass2255.73
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one
SMILESCC(=O)Nc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.Cc1cc(-c2ncc(NCc3cccc4cccnc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cccc4cnccc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc4ccccc4c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)ccc1F
InChIInChI=1S/3C29H21FN4S.C28H23FN4OS.C21H16FN3O/c1-18-12-21(7-9-25(18)30)29-24(20-8-10-26-27(13-20)35-17-34-26)14-23(16-33-29)32-15-22-5-2-4-19-6-3-11-31-28(19)22;1-18-11-20(5-7-26(18)30)29-25(19-6-8-27-28(12-19)35-17-34-27)13-23(16-33-29)32-15-22-4-2-3-21-14-31-10-9-24(21)22;1-18-10-22(6-8-25(18)30)29-24(20-7-9-27-28(12-20)35-17-34-27)13-23(16-33-29)31-14-19-11-21-4-2-3-5-26(21)32-15-19;1-17-11-21(5-9-25(17)29)28-24(20-6-10-26-27(12-20)35-16-32-26)13-23(15-31-28)30-14-19-3-7-22(8-4-19)33-18(2)34;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26)25(2)12-24-19/h2*2-14,16-17,32H,15H2,1H3;2-13,15-17,31H,14H2,1H3;3-13,15-16,30H,14H2,1-2H3,(H,33,34);3-12H,1-2H3
InChIKeyLLZHMSRPJGAJRR-UHFFFAOYSA-N
XLogP34.05
TPSA266.79 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds23
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002257.70
LogP ≤ 534.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

5-[2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-6-fluoroquinolin-5-yl]-1,3-thiazole;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;5-[2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)-5-(trifluoromethyl)quinoline;6-fluoro-N-methyl-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline-5-carboxamide
CID 157960066
8-(2,6-difluorophenyl)-N-pyridin-3-ylquinoline-2-carboxamide;ethane;N-pyridin-3-yl-8-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]quinoline-2-carboxamide;8-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]-N-(1,3-thiazol-2-yl)quinoline-2-carboxamide
CID 144049454
N-(pyridin-4-ylmethyl)-8-sulfanylquinoline-3-carboxamide;8-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-ylmethyl)quinoline-3-carboxamide;8-sulfanyl-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide;8-sulfanyl-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide;8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
CID 157314208
2-cyclopropyl-8-(2-methoxypyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-cyclopropyl-8-(2-methylpyrimidin-5-yl)-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-(2-methoxypyrimidin-5-yl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-(5,6,7,8-tetrahydroquinolin-3-yl)-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 157329320
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-[(1-methylpiperidin-4-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)pyrazolo[1,5-a]pyridine-3-carboxamide;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole
CID 157912380
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one
CID 157916980
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-methyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1H-indol-2-one;(3Z)-5-(2-phenyl-1,3-thiazol-4-yl)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 158055275
N-[(1S,2S)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;N-[(1R,2R)-2-aminocyclohexyl]-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxamide;6-[2-(2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole
CID 158165558
N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-isocyanobenzamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-3-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-4-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide
CID 158171792
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylimidazo[4,5-b]pyridin-6-yl)methyl]pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one
CID 158206863
5-(1,3-benzothiazol-6-yl)-N-[(6-chloro-3-pyridinyl)methyl]-6-(4-fluoro-3-methylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]pyridin-3-amine;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]butanamide;N-[4-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-3-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-pyridin-4-ylbutanamide;6-[2-(4-fluoro-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,3-benzothiazole
CID 158747259
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]pyridin-3-amine;N-[4-[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]phenyl]formamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-isocyanobenzamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-morpholin-4-ylpropanamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-pyridin-4-ylpyridin-3-amine;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-3-carboxamide;N-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyridine-4-carboxamide;6-(4-fluoro-3-methylphenyl)-N-[(4-isocyanophenyl)methyl]-5-quinoxalin-6-ylpyridin-3-amine
CID 158912841

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one (CID 159389989) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one is CC(=O)Nc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.Cc1cc(-c2ncc(NCc3cccc4cccnc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cccc4cnccc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc4ccccc4c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)ccc1F.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one?
The InChIKey is LLZHMSRPJGAJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C29H21FN4S.C28H23FN4OS.C21H16FN3O/c1-18-12-21(7-9-25(18)30)29-24(20-8-10-26-27(13-20)35-17-34-26)14-23(16-33-29)32-15-22-5-2-4-19-6-3-11-31-28(19)22;1-18-11-20(5-7-26(18)30)29-25(19-6-8-27-28(12-19)35-17-34-27)13-23(16-33-29)32-15-22-4-2-3-21-14-31-10-9-24(21)22;1-18-10-22(6-8-25(18)30)29-24(20-7-9-27-28(12-20)35-17-34-27)13-23(16-33-29)31-14-19-11-21-4-2-3-5-26(21)32-15-19;1-17-11-21(5-9-25(17)29)28-24(20-6-10-26-27(12-20)35-16-32-26)13-23(15-31-28)30-14-19-3-7-22(8-4-19)33-18(2)34;1-13-10-15(5-7-18(13)22)20-16(4-3-9-23-20)14-6-8-19-17(11-14)21(26)25(2)12-24-19/h2*2-14,16-17,32H,15H2,1H3;2-13,15-17,31H,14H2,1H3;3-13,15-16,30H,14H2,1-2H3,(H,33,34);3-12H,1-2H3.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one?
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one has a molecular weight of 2257.70 g/mol, XLogP of 34.05, 23 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(isoquinolin-5-ylmethyl)pyridin-3-amine;N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-3-ylmethyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-(quinolin-8-ylmethyl)pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 159389989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).