1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C132H178F3N27OS2 — CID 158964881

IUPAC1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)c1ccc2c(c1)CN(C)C2=O.CC(C)c1ccnc(N2CCc3cnccc32)c1.CC(C)c1cnc2c(c1)c(-c1cccnc1)cn2C.CC(C)c1nc(N2CCN(C(C)C)CC2)cs1.CC(C)c1nc(N2CCN(C)CC2)cs1.CC(C)n1ccc2cnccc21.Cc1ccc2c(c1)CCN2C(C)C.Cc1nn(C)c2ccc(-c3cc(C(C)C)cc(N4CCN(C)CC4)n3)cc12.Cc1nn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C22H29N5.C16H17N3.C15H17N3.C13H23N3S.C12H16N2.C12H15NO.C12H17N.C11H19N3S.C10H12N2.C9H13F3N4/c1-15(2)18-13-20(23-22(14-18)27-10-8-25(4)9-11-27)17-6-7-21-19(12-17)16(3)24-26(21)5;1-11(2)13-7-14-15(12-5-4-6-17-8-12)10-19(3)16(14)18-9-13;1-11(2)12-3-7-17-15(9-12)18-8-5-13-10-16-6-4-14(13)18;1-10(2)13-14-12(9-17-13)16-7-5-15(6-8-16)11(3)4;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)11-12-10(8-15-11)14-6-4-13(3)5-7-14;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12/h6-7,12-15H,8-11H2,1-5H3;4-11H,1-3H3;3-4,6-7,9-11H,5,8H2,1-2H3;9-11H,5-8H2,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;8-9H,4-7H2,1-3H3;3-8H,1-2H3;6H,3-5H2,1-2H3
InChIKeyJNBPEPVTJIIPGZ-UHFFFAOYSA-N
MW2280.19 g/mol
LogP27.99
Rot. Bonds17

About 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 158964881) has the molecular formula C132H178F3N27OS2 and a molecular weight of 2280.19 g/mol. Its IUPAC name is 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID158964881
Molecular FormulaC132H178F3N27OS2
Molecular Weight2280.19 g/mol
Exact Mass2278.41
IUPAC Name1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)c1ccc2c(c1)CN(C)C2=O.CC(C)c1ccnc(N2CCc3cnccc32)c1.CC(C)c1cnc2c(c1)c(-c1cccnc1)cn2C.CC(C)c1nc(N2CCN(C(C)C)CC2)cs1.CC(C)c1nc(N2CCN(C)CC2)cs1.CC(C)n1ccc2cnccc21.Cc1ccc2c(c1)CCN2C(C)C.Cc1nn(C)c2ccc(-c3cc(C(C)C)cc(N4CCN(C)CC4)n3)cc12.Cc1nn(C)c2ccc(C(C)C)cc12
InChIInChI=1S/C22H29N5.C16H17N3.C15H17N3.C13H23N3S.C12H16N2.C12H15NO.C12H17N.C11H19N3S.C10H12N2.C9H13F3N4/c1-15(2)18-13-20(23-22(14-18)27-10-8-25(4)9-11-27)17-6-7-21-19(12-17)16(3)24-26(21)5;1-11(2)13-7-14-15(12-5-4-6-17-8-12)10-19(3)16(14)18-9-13;1-11(2)12-3-7-17-15(9-12)18-8-5-13-10-16-6-4-14(13)18;1-10(2)13-14-12(9-17-13)16-7-5-15(6-8-16)11(3)4;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)11-12-10(8-15-11)14-6-4-13(3)5-7-14;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12/h6-7,12-15H,8-11H2,1-5H3;4-11H,1-3H3;3-4,6-7,9-11H,5,8H2,1-2H3;9-11H,5-8H2,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;8-9H,4-7H2,1-3H3;3-8H,1-2H3;6H,3-5H2,1-2H3
InChIKeyJNBPEPVTJIIPGZ-UHFFFAOYSA-N
XLogP27.99
TPSA228.80 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002280.19
LogP ≤ 527.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

(3,3-difluoroazetidin-1-yl)-[1-[1-[6-[4-[3-fluoro-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)-1H-indol-5-yl]propan-2-yl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone
CID 137387253
(3,3-difluoroazetidin-1-yl)-[1-[[1-methyl-6-[4-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-2-(1,3-thiazol-2-yl)indol-4-yl]methyl]-6-[4-[4-(1H-pyrazol-4-yl)anilino]quinazolin-2-yl]indol-2-yl]methanone
CID 137387573
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505536
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-1,4-diazepan-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505576
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[7-[2-[(4R)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505588
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[7-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-2,7-diazaspiro[3.5]nonan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505771
2-[5-[4-[4-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505835
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[2-[2-[(4S)-4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]-2-oxoethyl]-2,7-diazaspiro[3.5]nonan-7-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505836
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[7-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-2,7-diazaspiro[3.4]octan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505892
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[1-[1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]piperidin-4-yl]pyrazol-4-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505914
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[(1R,4R)-5-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505940
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[1-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]-2-oxoethyl]piperidin-4-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156505945

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 158964881) is 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)N1CCn2c(nnc2C(F)(F)F)C1.CC(C)c1ccc2c(c1)CN(C)C2=O.CC(C)c1ccnc(N2CCc3cnccc32)c1.CC(C)c1cnc2c(c1)c(-c1cccnc1)cn2C.CC(C)c1nc(N2CCN(C(C)C)CC2)cs1.CC(C)c1nc(N2CCN(C)CC2)cs1.CC(C)n1ccc2cnccc21.Cc1ccc2c(c1)CCN2C(C)C.Cc1nn(C)c2ccc(-c3cc(C(C)C)cc(N4CCN(C)CC4)n3)cc12.Cc1nn(C)c2ccc(C(C)C)cc12.
What is the InChIKey of 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is JNBPEPVTJIIPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5.C16H17N3.C15H17N3.C13H23N3S.C12H16N2.C12H15NO.C12H17N.C11H19N3S.C10H12N2.C9H13F3N4/c1-15(2)18-13-20(23-22(14-18)27-10-8-25(4)9-11-27)17-6-7-21-19(12-17)16(3)24-26(21)5;1-11(2)13-7-14-15(12-5-4-6-17-8-12)10-19(3)16(14)18-9-13;1-11(2)12-3-7-17-15(9-12)18-8-5-13-10-16-6-4-14(13)18;1-10(2)13-14-12(9-17-13)16-7-5-15(6-8-16)11(3)4;1-8(2)10-5-6-12-11(7-10)9(3)13-14(12)4;1-8(2)9-4-5-11-10(6-9)7-13(3)12(11)14;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)11-12-10(8-15-11)14-6-4-13(3)5-7-14;1-8(2)12-6-4-9-7-11-5-3-10(9)12;1-6(2)15-3-4-16-7(5-15)13-14-8(16)9(10,11)12/h6-7,12-15H,8-11H2,1-5H3;4-11H,1-3H3;3-4,6-7,9-11H,5,8H2,1-2H3;9-11H,5-8H2,1-4H3;5-8H,1-4H3;4-6,8H,7H2,1-3H3;4-5,8-9H,6-7H2,1-3H3;8-9H,4-7H2,1-3H3;3-8H,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 2280.19 g/mol, XLogP of 27.99, 17 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 158964881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).