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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one

C151H117F4N21O4S3 — CID 159491230

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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one
SMILESCC(=O)Nc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.Cc1cc(-c2ncc(NCc3cccc4cnccc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc4ccccc4c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc2c1=O
InChIInChI=1S/2C29H21FN4S.C28H23FN4OS.C23H19N3O.C21H16FN3O.C21H17N3O/c1-18-11-20(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;1-26-14-25-21-10-9-17(13-20(21)23(26)27)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;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;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25)24(2)13-23-19/h2-14,16-17,32H,15H2,1H3;2-13,15-17,31H,14H2,1H3;3-13,15-16,30H,14H2,1-2H3,(H,33,34);2-6,9-15H,7-8H2,1H3;3-12H,1-2H3;3-13H,1-2H3
InChIKeyLYFIEADRIPLRQN-UHFFFAOYSA-N
MW2461.93 g/mol
LogP34.93
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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one (PubChem CID 159491230) has the molecular formula C151H117F4N21O4S3 and a molecular weight of 2461.93 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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one
PubChem CID159491230
Molecular FormulaC151H117F4N21O4S3
Molecular Weight2461.93 g/mol
Exact Mass2459.87
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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one
SMILESCC(=O)Nc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.Cc1cc(-c2ncc(NCc3cccc4cnccc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc4ccccc4c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc2c1=O
InChIInChI=1S/2C29H21FN4S.C28H23FN4OS.C23H19N3O.C21H16FN3O.C21H17N3O/c1-18-11-20(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;1-26-14-25-21-10-9-17(13-20(21)23(26)27)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;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;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25)24(2)13-23-19/h2-14,16-17,32H,15H2,1H3;2-13,15-17,31H,14H2,1H3;3-13,15-16,30H,14H2,1-2H3,(H,33,34);2-6,9-15H,7-8H2,1H3;3-12H,1-2H3;3-13H,1-2H3
InChIKeyLYFIEADRIPLRQN-UHFFFAOYSA-N
XLogP34.93
TPSA311.65 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds23
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002461.93
LogP ≤ 534.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one with MolForge

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Related Compounds

8-[5-[[3-[8-(2,6-difluorophenyl)-2-(pyridin-3-ylcarbamoyl)quinolin-4-yl]pyrrolidin-1-yl]methyl]-2-pyridinyl]-N-pyridin-3-yl-4-[1-[[6-[2-(1,3-thiazol-2-ylcarbamoyl)quinolin-8-yl]-3-pyridinyl]methyl]pyrrolidin-3-yl]quinoline-2-carboxamide
CID 90853181
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
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-[(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
N-(cyclopropylmethyl)-4,4-dimethylpentanamide;2,3-dihydroindol-1-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;1,3-dihydroisoindol-2-yl-[3-(2,2-dimethylpropyl)phenyl]methanone;4,4-dimethyl-N-[(5-methylpyrazin-2-yl)methyl]pentanamide;3-(2,2-dimethylpropyl)-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide;4,4-dimethyl-N-(pyridin-2-ylmethyl)pentanamide;4,4-dimethyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 158221186
(Z)-2-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-iminoprop-1-en-1-amine;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;1-[3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]propan-2-one;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3H-quinazolin-4-one
CID 158319835
8-(2-methoxypyrimidin-5-yl)-2-(3-methylphenyl)-3-[(1S)-1-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)ethyl]isoquinolin-1-one;8-(1-methyl-6-oxo-3-pyridinyl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]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 158565499
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

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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one (CID 159491230) 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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one is CC(=O)Nc1ccc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)cc1.Cc1cc(-c2ncc(NCc3cccc4cnccc34)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3cnc4ccccc4c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)ccc1F.Cc1cccc(-c2ncccc2-c2ccc3ncn(C)c(=O)c3c2)c1.Cn1cnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc2c1=O.
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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one?
The InChIKey is LYFIEADRIPLRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H21FN4S.C28H23FN4OS.C23H19N3O.C21H16FN3O.C21H17N3O/c1-18-11-20(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;1-26-14-25-21-10-9-17(13-20(21)23(26)27)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15;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;1-14-5-3-6-16(11-14)20-17(7-4-10-22-20)15-8-9-19-18(12-15)21(25)24(2)13-23-19/h2-14,16-17,32H,15H2,1H3;2-13,15-17,31H,14H2,1H3;3-13,15-16,30H,14H2,1-2H3,(H,33,34);2-6,9-15H,7-8H2,1H3;3-12H,1-2H3;3-13H,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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one has a molecular weight of 2461.93 g/mol, XLogP of 34.93, 23 rotatable bonds, 4 hydrogen bond donors, and 27 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;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylquinazolin-4-one;3-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]quinazolin-4-one is sourced from PubChem (CID 159491230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).