1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole

C83H93F3N16O2 — CID 160514022

IUPAC1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
SMILESCC(C)c1ccc2c(c1)n(C1CCN(C)CC1)c(=O)n2C.CC(C)c1cccn(-c2ccc3c(cnn3C)c2)c1=O.CC(C)c1ccnc(-c2ccc3c(cnn3C(F)(F)F)c2)c1.CC(C)c1ccnc(-c2ccc3c(cnn3C)n2)c1.CC(C)c1ccnc(-c2ccc3c(cnn3C3CCC3)c2)c1
InChIInChI=1S/C19H21N3.C17H25N3O.C16H14F3N3.C16H17N3O.C15H16N4/c1-13(2)14-8-9-20-18(11-14)15-6-7-19-16(10-15)12-21-22(19)17-4-3-5-17;1-12(2)13-5-6-15-16(11-13)20(17(21)19(15)4)14-7-9-18(3)10-8-14;1-10(2)11-5-6-20-14(8-11)12-3-4-15-13(7-12)9-21-22(15)16(17,18)19;1-11(2)14-5-4-8-19(16(14)20)13-6-7-15-12(9-13)10-17-18(15)3;1-10(2)11-6-7-16-13(8-11)12-4-5-15-14(18-12)9-17-19(15)3/h6-13,17H,3-5H2,1-2H3;5-6,11-12,14H,7-10H2,1-4H3;3-10H,1-2H3;4-11H,1-3H3;4-10H,1-3H3
InChIKeyQTKIQASJCAYQOO-UHFFFAOYSA-N
MW1403.76 g/mol
LogP18.38
Rot. Bonds11

About 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole

1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole (PubChem CID 160514022) has the molecular formula C83H93F3N16O2 and a molecular weight of 1403.76 g/mol. Its IUPAC name is 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole.

Molecular Properties

Compound Name1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
PubChem CID160514022
Molecular FormulaC83H93F3N16O2
Molecular Weight1403.76 g/mol
Exact Mass1402.76
IUPAC Name1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
SMILESCC(C)c1ccc2c(c1)n(C1CCN(C)CC1)c(=O)n2C.CC(C)c1cccn(-c2ccc3c(cnn3C)c2)c1=O.CC(C)c1ccnc(-c2ccc3c(cnn3C(F)(F)F)c2)c1.CC(C)c1ccnc(-c2ccc3c(cnn3C)n2)c1.CC(C)c1ccnc(-c2ccc3c(cnn3C3CCC3)c2)c1
InChIInChI=1S/C19H21N3.C17H25N3O.C16H14F3N3.C16H17N3O.C15H16N4/c1-13(2)14-8-9-20-18(11-14)15-6-7-19-16(10-15)12-21-22(19)17-4-3-5-17;1-12(2)13-5-6-15-16(11-13)20(17(21)19(15)4)14-7-9-18(3)10-8-14;1-10(2)11-5-6-20-14(8-11)12-3-4-15-13(7-12)9-21-22(15)16(17,18)19;1-11(2)14-5-4-8-19(16(14)20)13-6-7-15-12(9-13)10-17-18(15)3;1-10(2)11-6-7-16-13(8-11)12-4-5-15-14(18-12)9-17-19(15)3/h6-13,17H,3-5H2,1-2H3;5-6,11-12,14H,7-10H2,1-4H3;3-10H,1-2H3;4-11H,1-3H3;4-10H,1-3H3
InChIKeyQTKIQASJCAYQOO-UHFFFAOYSA-N
XLogP18.38
TPSA175.01 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001403.76
LogP ≤ 518.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole with MolForge

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Related Compounds

3-[2-[4-[7-(difluoromethyl)-1-[(3R)-1,3-dimethyl-2-oxo-3H-indol-6-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]ethyl]-1-methyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one
CID 132181761
5-[5-[7-(difluoromethyl)-1-[(3R)-1,3-dimethyl-2-oxo-3H-indol-6-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-4-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1,3-dimethylbenzimidazol-2-one
CID 132181889
1-[4-(4-acetylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-amino-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-butanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;9-(3-methyl-2H-indazol-5-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 157540657
1-[3-(3,3-difluorocyclobutyl)-1-[3-(1,3-dimethylpyrazol-4-yl)-7-methylisoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[1-[3-(1,3-dimethylpyrazol-4-yl)isoquinolin-8-yl]-3-(4-fluoro-4-methylcyclohexyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(3-fluoro-3-methylcyclobutyl)-1-[3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-[3-(4-fluoro-4-methylcyclohexyl)-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 158102377
methane;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;5-methyl-2-propan-2-yl-3H-indole;1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
CID 159645131
6-(1,1-difluoroethyl)-3-[2,6-dimethyl-1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-(1,1-difluoroethyl)-3-[(2R,4S)-2-methyl-1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one;6-(1,1-difluoroethyl)-3-[2,3,5,6-tetramethyl-4-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperazin-1-yl]-1,3-dihydroindol-2-one
CID 160191732
1-Cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-cyclopropyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(difluoromethyl)-5-(4-propan-2-yl-2-pyridinyl)indazole;2-(difluoromethyl)-5-(4-propan-2-yl-2-pyridinyl)indazole;1-ethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;2-ethyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole
CID 160443352
1-[3-Ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]urea;1-[4-(1-methylpyrazolo[5,4-c]pyridin-4-yl)phenyl]-3-[4-(piperidin-4-ylmethyl)-3-(trifluoromethyl)phenyl]urea
CID 160603358
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)pyrazol-1-yl]hexanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160885437
(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
CID 161211844
N-[3-[(dimethylamino)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-(3-fluorophenyl)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-(5-fluoro-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-pyridin-3-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 161330969
(3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one
CID 161499687

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole?
The IUPAC name of 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole (CID 160514022) is 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole.
What is the SMILES notation for 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole?
The canonical SMILES for 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole is CC(C)c1ccc2c(c1)n(C1CCN(C)CC1)c(=O)n2C.CC(C)c1cccn(-c2ccc3c(cnn3C)c2)c1=O.CC(C)c1ccnc(-c2ccc3c(cnn3C(F)(F)F)c2)c1.CC(C)c1ccnc(-c2ccc3c(cnn3C)n2)c1.CC(C)c1ccnc(-c2ccc3c(cnn3C3CCC3)c2)c1.
What is the InChIKey of 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole?
The InChIKey is QTKIQASJCAYQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3.C17H25N3O.C16H14F3N3.C16H17N3O.C15H16N4/c1-13(2)14-8-9-20-18(11-14)15-6-7-19-16(10-15)12-21-22(19)17-4-3-5-17;1-12(2)13-5-6-15-16(11-13)20(17(21)19(15)4)14-7-9-18(3)10-8-14;1-10(2)11-5-6-20-14(8-11)12-3-4-15-13(7-12)9-21-22(15)16(17,18)19;1-11(2)14-5-4-8-19(16(14)20)13-6-7-15-12(9-13)10-17-18(15)3;1-10(2)11-6-7-16-13(8-11)12-4-5-15-14(18-12)9-17-19(15)3/h6-13,17H,3-5H2,1-2H3;5-6,11-12,14H,7-10H2,1-4H3;3-10H,1-2H3;4-11H,1-3H3;4-10H,1-3H3.
What are the key properties of 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole?
1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole has a molecular weight of 1403.76 g/mol, XLogP of 18.38, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-(1-methylindazol-5-yl)-3-propan-2-ylpyridin-2-one;1-methyl-3-(1-methylpiperidin-4-yl)-5-propan-2-ylbenzimidazol-2-one;1-methyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;5-(4-propan-2-yl-2-pyridinyl)-1-(trifluoromethyl)indazole is sourced from PubChem (CID 160514022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).