5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine

C65H74N16S3 — CID 160565222

IUPAC5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(-c2ccc3nc(N(C)C4CCNCC4)sc3n2)cc2cn(C)nc12.Cn1cc2cc(-c3ccc4nc(NC5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C24H29N5S.C21H24N6S.C20H21N5S/c1-23(2)12-18(13-24(3,4)28-23)29(5)22-26-20-9-7-16(11-21(20)30-22)15-6-8-19-17(10-15)14-25-27-19;1-13-10-14(11-15-12-26(2)25-19(13)15)17-4-5-18-20(23-17)28-21(24-18)27(3)16-6-8-22-9-7-16;1-25-12-15-10-13(2-4-17(15)24-25)14-3-5-18-19(11-14)26-20(23-18)22-16-6-8-21-9-7-16/h6-11,14,18,28H,12-13H2,1-5H3,(H,25,27);4-5,10-12,16,22H,6-9H2,1-3H3;2-5,10-12,16,21H,6-9H2,1H3,(H,22,23)
InChIKeyQZVHWVWWSYLUGA-UHFFFAOYSA-N
MW1175.62 g/mol
LogP13.34
Rot. Bonds9

About 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine

5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine (PubChem CID 160565222) has the molecular formula C65H74N16S3 and a molecular weight of 1175.62 g/mol. Its IUPAC name is 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine
PubChem CID160565222
Molecular FormulaC65H74N16S3
Molecular Weight1175.62 g/mol
Exact Mass1174.54
IUPAC Name5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(-c2ccc3nc(N(C)C4CCNCC4)sc3n2)cc2cn(C)nc12.Cn1cc2cc(-c3ccc4nc(NC5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C24H29N5S.C21H24N6S.C20H21N5S/c1-23(2)12-18(13-24(3,4)28-23)29(5)22-26-20-9-7-16(11-21(20)30-22)15-6-8-19-17(10-15)14-25-27-19;1-13-10-14(11-15-12-26(2)25-19(13)15)17-4-5-18-20(23-17)28-21(24-18)27(3)16-6-8-22-9-7-16;1-25-12-15-10-13(2-4-17(15)24-25)14-3-5-18-19(11-14)26-20(23-18)22-16-6-8-21-9-7-16/h6-11,14,18,28H,12-13H2,1-5H3,(H,25,27);4-5,10-12,16,22H,6-9H2,1-3H3;2-5,10-12,16,21H,6-9H2,1H3,(H,22,23)
InChIKeyQZVHWVWWSYLUGA-UHFFFAOYSA-N
XLogP13.34
TPSA170.48 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001175.62
LogP ≤ 513.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

2-[2-fluoro-5-(1H-indazol-3-yl)-1-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)-4-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyridin-3-yl]thieno[3,2-b]pyridine
CID 141325335
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-7-fluoro-2H-indazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;5-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-N-(4-methylpent-1-en-2-yl)pyridin-3-amine
CID 145034290
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 159439054
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
5-tert-butyl-1-methyl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrazolo[4,3-b]pyridine;1-methyl-5-propan-2-yl-3-pyrimidin-5-ylindazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 160060630
4-methyl-1-[(4-methyl-1H-pyrazol-5-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[(5-methyl-3H-pyrazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(2-piperidin-1-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-(2-pyridin-3-ylethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160530428
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
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;methane
CID 161234517
6-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;2-(2,2-dimethylpiperidin-4-yl)-6-(2-methylindazol-5-yl)-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 161453498
3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 161533387
CID 162214132
CID 162214132

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine (CID 160565222) is 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine is CN(c1nc2ccc(-c3ccc4[nH]ncc4c3)cc2s1)C1CC(C)(C)NC(C)(C)C1.Cc1cc(-c2ccc3nc(N(C)C4CCNCC4)sc3n2)cc2cn(C)nc12.Cn1cc2cc(-c3ccc4nc(NC5CCNCC5)sc4c3)ccc2n1.
What is the InChIKey of 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
The InChIKey is QZVHWVWWSYLUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5S.C21H24N6S.C20H21N5S/c1-23(2)12-18(13-24(3,4)28-23)29(5)22-26-20-9-7-16(11-21(20)30-22)15-6-8-19-17(10-15)14-25-27-19;1-13-10-14(11-15-12-26(2)25-19(13)15)17-4-5-18-20(23-17)28-21(24-18)27(3)16-6-8-22-9-7-16;1-25-12-15-10-13(2-4-17(15)24-25)14-3-5-18-19(11-14)26-20(23-18)22-16-6-8-21-9-7-16/h6-11,14,18,28H,12-13H2,1-5H3,(H,25,27);4-5,10-12,16,22H,6-9H2,1-3H3;2-5,10-12,16,21H,6-9H2,1H3,(H,22,23).
What are the key properties of 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine?
5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine has a molecular weight of 1175.62 g/mol, XLogP of 13.34, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-dimethylindazol-5-yl)-N-methyl-N-piperidin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;6-(1H-indazol-5-yl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine;6-(2-methylindazol-5-yl)-N-piperidin-4-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 160565222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).