5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine

C84H116FN13O5 — CID 158071015

IUPAC5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
SMILESCC(C)c1cn(C)c2cc(CN)ccc12.CC(C)n1c(CN2CCOCC2)nc2ccccc21.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C
InChIInChI=1S/C18H24N2O2.C15H21N3O.C14H23N3O2.C13H18N2.C12H14FN.C12H16N2/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14/h5-8,12,14H,9-11H2,1-4H3;3-6,12H,7-11H2,1-2H3;6,9-11H,7-8H2,1-5H3;4-6,8-9H,7,14H2,1-3H3;4-8H,1-3H3;5-8H,1-4H3
InChIKeyFLUYAUDTFUEKDW-UHFFFAOYSA-N
MW1406.94 g/mol
LogP17.10
Rot. Bonds15

About 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine

5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 158071015) has the molecular formula C84H116FN13O5 and a molecular weight of 1406.94 g/mol. Its IUPAC name is 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
PubChem CID158071015
Molecular FormulaC84H116FN13O5
Molecular Weight1406.94 g/mol
Exact Mass1405.92
IUPAC Name5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine
SMILESCC(C)c1cn(C)c2cc(CN)ccc12.CC(C)n1c(CN2CCOCC2)nc2ccccc21.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C
InChIInChI=1S/C18H24N2O2.C15H21N3O.C14H23N3O2.C13H18N2.C12H14FN.C12H16N2/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14/h5-8,12,14H,9-11H2,1-4H3;3-6,12H,7-11H2,1-2H3;6,9-11H,7-8H2,1-5H3;4-6,8-9H,7,14H2,1-3H3;4-8H,1-3H3;5-8H,1-4H3
InChIKeyFLUYAUDTFUEKDW-UHFFFAOYSA-N
XLogP17.10
TPSA165.82 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001406.94
LogP ≤ 517.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine with MolForge

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Related Compounds

[6-[4-[[2-[2-(3,3-difluoroazetidine-1-carbonyl)-3-methylbenzimidazol-5-yl]-6-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-4-yl]methyl-[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 137387441
5-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methylbenzimidazol-1-yl]but-2-enyl]-3-(2-ethyl-5-methylpyrazol-3-yl)-4-fluoropyrido[4,3-b]indole-8-carboxamide
CID 148870150
5-[4-[5-Carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methylbenzimidazol-1-yl]but-2-enyl]-3-(2-ethyl-5-methylpyrazol-3-yl)-4-fluoropyrido[4,3-b]indole-8-carboxamide
CID 156143251
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[2-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]piperidin-1-yl]acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 156505555
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[2-[2-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-6-yl]-3,3-difluoropiperidin-1-yl]acetyl]-2,6-diazaspiro[3.3]heptan-6-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-pyridin-2-ylacetamide
CID 156506177
5-[(E)-4-[5-carbamoyl-2-[2-(2-ethyl-5-methylpyrazol-3-yl)-2-oxoethyl]-7-methylbenzimidazol-1-yl]but-2-enyl]-3-(2-ethyl-5-methylpyrazol-3-yl)-4-fluoropyrido[4,3-b]indole-8-carboxamide
CID 157717904
N-[4-[(cyclopropylamino)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157779105
CID 157944153
CID 157944153
tert-butyl 3-(3,3-difluoroazetidine-1-carbonyl)-4-[2-[(S)-[(2-ethylpyrazole-3-carbonyl)amino]-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(3,3-difluoroazetidine-1-carbonyl)-4-[2-[(S)-[(2-ethylpyrazole-3-carbonyl)amino]-(4-methylcyclohexyl)methyl]-4-fluoro-1H-benzimidazol-5-yl]pyrrolidine-1-carboxylate
CID 158167911
1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);bis((6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158260434
N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-7-fluoro-2H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;N-[(3S)-2,2-difluoro-4-methylpentan-3-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-[(3S)-2,2-difluoropentan-3-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide;N-(2,2-difluoropropyl)-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide
CID 158874363
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 159001521

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine (CID 158071015) is 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine is CC(C)c1cn(C)c2cc(CN)ccc12.CC(C)n1c(CN2CCOCC2)nc2ccccc21.COC1CN(C(=O)Cc2c(C)n(C(C)C)c3ccccc23)C1.COC1CN(C(=O)c2cc(C(C)C)n(C(C)C)n2)C1.Cc1cc2cc(F)ccc2n1C(C)C.Cc1cc2cn(C(C)C)nc2cc1C.
What is the InChIKey of 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is FLUYAUDTFUEKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.C15H21N3O.C14H23N3O2.C13H18N2.C12H14FN.C12H16N2/c1-12(2)20-13(3)16(15-7-5-6-8-17(15)20)9-18(21)19-10-14(11-19)22-4;1-12(2)18-14-6-4-3-5-13(14)16-15(18)11-17-7-9-19-10-8-17;1-9(2)13-6-12(15-17(13)10(3)4)14(18)16-7-11(8-16)19-5;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;1-8(2)14-9(3)6-10-7-11(13)4-5-12(10)14;1-8(2)14-7-11-5-9(3)10(4)6-12(11)13-14/h5-8,12,14H,9-11H2,1-4H3;3-6,12H,7-11H2,1-2H3;6,9-11H,7-8H2,1-5H3;4-6,8-9H,7,14H2,1-3H3;4-8H,1-3H3;5-8H,1-4H3.
What are the key properties of 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine?
5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 1406.94 g/mol, XLogP of 17.10, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-propan-2-ylindazole;[1,5-di(propan-2-yl)pyrazol-3-yl]-(3-methoxyazetidin-1-yl)methanone;5-fluoro-2-methyl-1-propan-2-ylindole;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 158071015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).