6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

C64H64F3N19S3 — CID 159909962

IUPAC6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCNCC5)sc4c3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(NC5CC(C)(C)NC(C)(C)C5)nc4cn3)cc(F)c2n1
InChIInChI=1S/C23H27FN6S.C21H20FN7S.C20H17FN6S/c1-22(2)9-15(10-23(3,4)29-22)26-21-27-18-11-25-17(8-19(18)31-21)13-6-14-12-30(5)28-20(14)16(24)7-13;1-12-11-29-20(25-12)14(10-23)8-17(27-29)13-7-16(22)19-18(9-13)30-21(26-19)28(2)15-3-5-24-6-4-15;1-11-10-27-19(24-11)14(9-22)7-16(26-27)13-6-15(21)18-17(8-13)28-20(25-18)12-2-4-23-5-3-12/h6-8,11-12,15,29H,9-10H2,1-5H3,(H,26,27);7-9,11,15,24H,3-6H2,1-2H3;6-8,10,12,23H,2-5H2,1H3
InChIKeyNXBHUVJGANYCFA-UHFFFAOYSA-N
MW1252.54 g/mol
LogP12.41
Rot. Bonds8

About 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (PubChem CID 159909962) has the molecular formula C64H64F3N19S3 and a molecular weight of 1252.54 g/mol. Its IUPAC name is 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.

Molecular Properties

Compound Name6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
PubChem CID159909962
Molecular FormulaC64H64F3N19S3
Molecular Weight1252.54 g/mol
Exact Mass1251.47
IUPAC Name6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCNCC5)sc4c3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(NC5CC(C)(C)NC(C)(C)C5)nc4cn3)cc(F)c2n1
InChIInChI=1S/C23H27FN6S.C21H20FN7S.C20H17FN6S/c1-22(2)9-15(10-23(3,4)29-22)26-21-27-18-11-25-17(8-19(18)31-21)13-6-14-12-30(5)28-20(14)16(24)7-13;1-12-11-29-20(25-12)14(10-23)8-17(27-29)13-7-16(22)19-18(9-13)30-21(26-19)28(2)15-3-5-24-6-4-15;1-11-10-27-19(24-11)14(9-22)7-16(26-27)13-6-15(21)18-17(8-13)28-20(25-18)12-2-4-23-5-3-12/h6-8,11-12,15,29H,9-10H2,1-5H3,(H,26,27);7-9,11,15,24H,3-6H2,1-2H3;6-8,10,12,23H,2-5H2,1H3
InChIKeyNXBHUVJGANYCFA-UHFFFAOYSA-N
XLogP12.41
TPSA228.70 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001252.54
LogP ≤ 512.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile with MolForge

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Related Compounds

6-(4-Fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 151764169
6-[4-Fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 152515451
6-[2-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-4-fluoro-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 156310020
6-[2-[8-Azabicyclo[3.2.1]octan-3-yl(methyl)amino]-4-fluoro-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
CID 156310021
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
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 158430657
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
4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile;5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
CID 159723051
4-[2-[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]ethyl]-N,N-dimethylpiperazine-1-carboxamide;1-[2-(4-ethylpiperazin-1-yl)ethyl]-4-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-(3-methylpiperazin-1-yl)ethyl]-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-[(1-methylpyrazol-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-3-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-7H-cyclopenta[c]pyridine-6-carbonitrile
CID 159944940
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
2-[[5-(6-isocyano-3-pyridinyl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4H-thieno[3,2-b]pyrrole;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-1,3-benzothiazole;6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]thieno[2,3-b]pyridine;2-[4-[3-(pyrrolo[1,2-a]pyrimidin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(pyrrolo[1,2-b]pyridazin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;2-[4-[3-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-4H-pyrazol-1-ium-1-yl]ethanol;3-(7H-pyrrolo[3,4-b]pyridin-5-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 160132828

Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The IUPAC name of 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (CID 159909962) is 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.
What is the SMILES notation for 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The canonical SMILES for 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1.Cc1cn2nc(-c3cc(F)c4nc(N(C)C5CCNCC5)sc4c3)cc(C#N)c2n1.Cn1cc2cc(-c3cc4sc(NC5CC(C)(C)NC(C)(C)C5)nc4cn3)cc(F)c2n1.
What is the InChIKey of 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The InChIKey is NXBHUVJGANYCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6S.C21H20FN7S.C20H17FN6S/c1-22(2)9-15(10-23(3,4)29-22)26-21-27-18-11-25-17(8-19(18)31-21)13-6-14-12-30(5)28-20(14)16(24)7-13;1-12-11-29-20(25-12)14(10-23)8-17(27-29)13-7-16(22)19-18(9-13)30-21(26-19)28(2)15-3-5-24-6-4-15;1-11-10-27-19(24-11)14(9-22)7-16(26-27)13-6-15(21)18-17(8-13)28-20(25-18)12-2-4-23-5-3-12/h6-8,11-12,15,29H,9-10H2,1-5H3,(H,26,27);7-9,11,15,24H,3-6H2,1-2H3;6-8,10,12,23H,2-5H2,1H3.
What are the key properties of 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile has a molecular weight of 1252.54 g/mol, XLogP of 12.41, 8 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoro-2-methylindazol-5-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is sourced from PubChem (CID 159909962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).