5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one

C151H123F4N17O7S3 — CID 159109496

IUPAC5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one
SMILESCc1cc(-c2ncc(NCc3ccc(C)c(OCC(N)=O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(N4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(c2)CC=NC3=O)ccc1F.Cc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)ccc1O.Cc1cccc(-c2ncccc2-c2ccc3c(c2)CC=NC3=O)c1.O=C1N=CCc2cc(-c3cccnc3-c3cccc(C4CC4)c3)ccc21
InChIInChI=1S/C30H27FN4OS.C29H25FN4O2S.C27H22FN3OS.C23H18N2O.C21H15FN2O.C21H16N2O/c1-20-14-23(4-8-27(20)31)30-26(22-5-9-28-29(15-22)37-19-34-28)16-24(18-33-30)32-17-21-2-6-25(7-3-21)35-10-12-36-13-11-35;1-17-3-4-19(10-26(17)36-15-28(31)35)13-32-22-12-23(20-6-8-25-27(11-20)37-16-34-25)29(33-14-22)21-5-7-24(30)18(2)9-21;1-16-10-20(4-6-23(16)28)27-22(19-5-7-24-26(11-19)33-15-31-24)12-21(14-30-27)29-13-18-3-8-25(32)17(2)9-18;26-23-21-9-8-17(14-18(21)10-12-25-23)20-5-2-11-24-22(20)19-4-1-3-16(13-19)15-6-7-15;1-13-11-16(5-7-19(13)22)20-17(3-2-9-23-20)14-4-6-18-15(12-14)8-10-24-21(18)25;1-14-4-2-5-17(12-14)20-18(6-3-10-22-20)15-7-8-19-16(13-15)9-11-23-21(19)24/h2-9,14-16,18-19,32H,10-13,17H2,1H3;3-12,14,16,32H,13,15H2,1-2H3,(H2,31,35);3-12,14-15,29,32H,13H2,1-2H3;1-5,8-9,11-15H,6-7,10H2;2-7,9-12H,8H2,1H3;2-8,10-13H,9H2,1H3
InChIKeyKEHPXFNAEWLLOV-UHFFFAOYSA-N
MW2459.95 g/mol
LogP34.46
Rot. Bonds26

About 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one (PubChem CID 159109496) has the molecular formula C151H123F4N17O7S3 and a molecular weight of 2459.95 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one
PubChem CID159109496
Molecular FormulaC151H123F4N17O7S3
Molecular Weight2459.95 g/mol
Exact Mass2457.89
IUPAC Name5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one
SMILESCc1cc(-c2ncc(NCc3ccc(C)c(OCC(N)=O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(N4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(c2)CC=NC3=O)ccc1F.Cc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)ccc1O.Cc1cccc(-c2ncccc2-c2ccc3c(c2)CC=NC3=O)c1.O=C1N=CCc2cc(-c3cccnc3-c3cccc(C4CC4)c3)ccc21
InChIInChI=1S/C30H27FN4OS.C29H25FN4O2S.C27H22FN3OS.C23H18N2O.C21H15FN2O.C21H16N2O/c1-20-14-23(4-8-27(20)31)30-26(22-5-9-28-29(15-22)37-19-34-28)16-24(18-33-30)32-17-21-2-6-25(7-3-21)35-10-12-36-13-11-35;1-17-3-4-19(10-26(17)36-15-28(31)35)13-32-22-12-23(20-6-8-25-27(11-20)37-16-34-25)29(33-14-22)21-5-7-24(30)18(2)9-21;1-16-10-20(4-6-23(16)28)27-22(19-5-7-24-26(11-19)33-15-31-24)12-21(14-30-27)29-13-18-3-8-25(32)17(2)9-18;26-23-21-9-8-17(14-18(21)10-12-25-23)20-5-2-11-24-22(20)19-4-1-3-16(13-19)15-6-7-15;1-13-11-16(5-7-19(13)22)20-17(3-2-9-23-20)14-4-6-18-15(12-14)8-10-24-21(18)25;1-14-4-2-5-17(12-14)20-18(6-3-10-22-20)15-7-8-19-16(13-15)9-11-23-21(19)24/h2-9,14-16,18-19,32H,10-13,17H2,1H3;3-12,14,16,32H,13,15H2,1-2H3,(H2,31,35);3-12,14-15,29,32H,13H2,1-2H3;1-5,8-9,11-15H,6-7,10H2;2-7,9-12H,8H2,1H3;2-8,10-13H,9H2,1H3
InChIKeyKEHPXFNAEWLLOV-UHFFFAOYSA-N
XLogP34.46
TPSA325.41 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002459.95
LogP ≤ 534.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one with MolForge

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Related Compounds

5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;2-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]ethanol;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole
CID 157620750
4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;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)-5-[3-(sulfinatoamino)phenyl]-3-pyridinyl]-1,3-benzothiazole;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one
CID 158995579
N-[4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]phenyl]acetamide;3-[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenol;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 159968992
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(3-morpholin-4-ylphenyl)methyl]pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(4-fluoro-3-methylphenyl)-5-pyrazol-1-yl-3-pyridinyl]-1,3-benzothiazole
CID 160276428
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one
CID 160281293
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide
CID 160521433
(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanol;(4-aminophenyl)-[4-(4-fluorophenyl)phenyl]methanone;5-[4-[(5-ethyl-2-pyridinyl)oxy]phenyl]-1,3-thiazole;4-[[4-(4-fluorophenyl)phenyl]-methoxymethyl]aniline;4-methyl-6-[3-methyl-4-(2-methylphenyl)phenoxy]pyridin-3-amine;4-methyl-6-[(6-phenyl-3-pyridinyl)oxy]pyridin-3-amine;4-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine;N-methyl-6-[4-(1,3-thiazol-2-yl)phenoxy]pyridin-3-amine
CID 165071737

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one (CID 159109496) is 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one is Cc1cc(-c2ncc(NCc3ccc(C)c(OCC(N)=O)c3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncc(NCc3ccc(N4CCOCC4)cc3)cc2-c2ccc3ncsc3c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3c(c2)CC=NC3=O)ccc1F.Cc1cc(CNc2cnc(-c3ccc(F)c(C)c3)c(-c3ccc4ncsc4c3)c2)ccc1O.Cc1cccc(-c2ncccc2-c2ccc3c(c2)CC=NC3=O)c1.O=C1N=CCc2cc(-c3cccnc3-c3cccc(C4CC4)c3)ccc21.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one?
The InChIKey is KEHPXFNAEWLLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4OS.C29H25FN4O2S.C27H22FN3OS.C23H18N2O.C21H15FN2O.C21H16N2O/c1-20-14-23(4-8-27(20)31)30-26(22-5-9-28-29(15-22)37-19-34-28)16-24(18-33-30)32-17-21-2-6-25(7-3-21)35-10-12-36-13-11-35;1-17-3-4-19(10-26(17)36-15-28(31)35)13-32-22-12-23(20-6-8-25-27(11-20)37-16-34-25)29(33-14-22)21-5-7-24(30)18(2)9-21;1-16-10-20(4-6-23(16)28)27-22(19-5-7-24-26(11-19)33-15-31-24)12-21(14-30-27)29-13-18-3-8-25(32)17(2)9-18;26-23-21-9-8-17(14-18(21)10-12-25-23)20-5-2-11-24-22(20)19-4-1-3-16(13-19)15-6-7-15;1-13-11-16(5-7-19(13)22)20-17(3-2-9-23-20)14-4-6-18-15(12-14)8-10-24-21(18)25;1-14-4-2-5-17(12-14)20-18(6-3-10-22-20)15-7-8-19-16(13-15)9-11-23-21(19)24/h2-9,14-16,18-19,32H,10-13,17H2,1H3;3-12,14,16,32H,13,15H2,1-2H3,(H2,31,35);3-12,14-15,29,32H,13H2,1-2H3;1-5,8-9,11-15H,6-7,10H2;2-7,9-12H,8H2,1H3;2-8,10-13H,9H2,1H3.
What are the key properties of 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one?
5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one has a molecular weight of 2459.95 g/mol, XLogP of 34.46, 26 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]pyridin-3-amine;4-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenol;2-[5-[[[5-(1,3-benzothiazol-6-yl)-6-(4-fluoro-3-methylphenyl)-3-pyridinyl]amino]methyl]-2-methylphenoxy]acetamide;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one;6-[2-(3-methylphenyl)-3-pyridinyl]-4H-isoquinolin-1-one is sourced from PubChem (CID 159109496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).