6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile

C63H62FN13S3 — CID 157243402

IUPAC6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile
SMILESCCc1cc(-c2ccc3nc(C4CCNCC4)sc3c2)cc2cn(C)nc12.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(F)c2n1
InChIInChI=1S/C22H24N4S.C21H19N5S.C20H19FN4S/c1-3-14-10-17(11-18-13-26(2)25-21(14)18)16-4-5-19-20(12-16)27-22(24-19)15-6-8-23-9-7-15;1-26-12-17-9-15(8-16(11-22)20(17)25-26)14-2-3-18-19(10-14)27-21(24-18)13-4-6-23-7-5-13;1-25-11-15-8-14(9-16(21)19(15)24-25)13-2-3-17-18(10-13)26-20(23-17)12-4-6-22-7-5-12/h4-5,10-13,15,23H,3,6-9H2,1-2H3;2-3,8-10,12-13,23H,4-7H2,1H3;2-3,8-12,22H,4-7H2,1H3
InChIKeyAVLYWYNWGQPWDT-UHFFFAOYSA-N
MW1116.48 g/mol
LogP13.52
Rot. Bonds7

About 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile

6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile (PubChem CID 157243402) has the molecular formula C63H62FN13S3 and a molecular weight of 1116.48 g/mol. Its IUPAC name is 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile.

Molecular Properties

Compound Name6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile
PubChem CID157243402
Molecular FormulaC63H62FN13S3
Molecular Weight1116.48 g/mol
Exact Mass1115.44
IUPAC Name6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile
SMILESCCc1cc(-c2ccc3nc(C4CCNCC4)sc3c2)cc2cn(C)nc12.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(F)c2n1
InChIInChI=1S/C22H24N4S.C21H19N5S.C20H19FN4S/c1-3-14-10-17(11-18-13-26(2)25-21(14)18)16-4-5-19-20(12-16)27-22(24-19)15-6-8-23-9-7-15;1-26-12-17-9-15(8-16(11-22)20(17)25-26)14-2-3-18-19(10-14)27-21(24-18)13-4-6-23-7-5-13;1-25-11-15-8-14(9-16(21)19(15)24-25)13-2-3-17-18(10-13)26-20(23-17)12-4-6-22-7-5-12/h4-5,10-13,15,23H,3,6-9H2,1-2H3;2-3,8-10,12-13,23H,4-7H2,1H3;2-3,8-12,22H,4-7H2,1H3
InChIKeyAVLYWYNWGQPWDT-UHFFFAOYSA-N
XLogP13.52
TPSA152.01 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001116.48
LogP ≤ 513.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile with MolForge

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Related Compounds

2-(4-Fluoropiperidin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole
CID 149798311
4-Fluoro-6-(2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 150087766
5-(4-Fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylindazole-7-carbonitrile
CID 150447217
4-Fluoro-6-(2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole
CID 151823616
5-[4-Fluoro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazol-6-yl]-2-methylindazole-7-carbonitrile
CID 151983638
[5-(4-Fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylindazol-7-yl]methanamine
CID 152184145
6-(7-Fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 152451454
4-Fluoro-6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole
CID 152593383
1-Cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;1-(difluoromethyl)-4-(4-propan-2-ylphenyl)pyrazole;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;3-(4-propan-2-ylphenyl)benzonitrile;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;1,3,5-trimethyl-4-(4-propan-2-ylphenyl)pyrazole
CID 157363158
1-(Difluoromethyl)-4-(4-propan-2-ylphenyl)pyrazole;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;3-(4-propan-2-ylphenyl)benzonitrile;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;1,3,5-trimethyl-4-(4-propan-2-ylphenyl)pyrazole
CID 158677852
6-(2,7-Dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(2-methylpiperidin-4-yl)-1,3-benzothiazole;6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine
CID 160055007
2-(2,7-dimethylindazol-5-yl)-6-piperidin-4-yl-1,3-benzothiazole;2-(2,7-dimethylindazol-5-yl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-1,3-benzothiazol-2-amine
CID 161033450

Frequently Asked Questions

What is the IUPAC name of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile?
The IUPAC name of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile (CID 157243402) is 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile.
What is the SMILES notation for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile?
The canonical SMILES for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile is CCc1cc(-c2ccc3nc(C4CCNCC4)sc3c2)cc2cn(C)nc12.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1.Cn1cc2cc(-c3ccc4nc(C5CCNCC5)sc4c3)cc(F)c2n1.
What is the InChIKey of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile?
The InChIKey is AVLYWYNWGQPWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4S.C21H19N5S.C20H19FN4S/c1-3-14-10-17(11-18-13-26(2)25-21(14)18)16-4-5-19-20(12-16)27-22(24-19)15-6-8-23-9-7-15;1-26-12-17-9-15(8-16(11-22)20(17)25-26)14-2-3-18-19(10-14)27-21(24-18)13-4-6-23-7-5-13;1-25-11-15-8-14(9-16(21)19(15)24-25)13-2-3-17-18(10-13)26-20(23-17)12-4-6-22-7-5-12/h4-5,10-13,15,23H,3,6-9H2,1-2H3;2-3,8-10,12-13,23H,4-7H2,1H3;2-3,8-12,22H,4-7H2,1H3.
What are the key properties of 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile?
6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile has a molecular weight of 1116.48 g/mol, XLogP of 13.52, 7 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-ethyl-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(7-fluoro-2-methylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-methyl-5-(2-piperidin-4-yl-1,3-benzothiazol-6-yl)indazole-7-carbonitrile is sourced from PubChem (CID 157243402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).