1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile

C163H207FN16O7 — CID 158193982

IUPAC1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile
SMILESCC(C)/C(F)=C/c1ccc(C#N)cc1.CC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)C(=O)Cc1ccc2c(ccn2C)c1.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(OCc2ccccc2)cc1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc(CC#N)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn([C@@H](C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21
InChIInChI=1S/C17H24N2.C16H21NO2.C16H18O.C15H23NO2.C14H18N2.C14H17NO.C14H15NO.C13H14N2.C12H12FN.C11H14N2.C11H13N.C10H18N2/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)14(16)9-11-4-5-13-12(8-11)6-7-15(13)3;1-11(2)6-7-12-4-3-5-13(8-12)14-9-15-10-16-14;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-9(2)12(13)7-10-3-5-11(8-14)6-4-10;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)9-6-11-12(7-9)10(3,4)5/h8-13H,5-7H2,1-4H3;6-11H,1-5H3;3-11,13H,12H2,1-2H3;7-11H,1-6H3;4-12H,1-3H3;4-8,10H,9H2,1-3H3;3-11H,1-2H3;4-7,9H,1-3H3;3-7,9H,1-2H3;4-8H,1-3H3;3-5,8-9H,6H2,1-2H3;6-8H,1-5H3/b;;;;;;7-6+;;12-7-;;;/t12-;;;;12-;;;;;;;/m1...0......./s1
InChIKeyGACOZGHRBPBZMG-HIDXMMQESA-N
MW2521.55 g/mol
LogP43.73
Rot. Bonds27

About 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile

1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile (PubChem CID 158193982) has the molecular formula C163H207FN16O7 and a molecular weight of 2521.55 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile
PubChem CID158193982
Molecular FormulaC163H207FN16O7
Molecular Weight2521.55 g/mol
Exact Mass2519.63
IUPAC Name1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile
SMILESCC(C)/C(F)=C/c1ccc(C#N)cc1.CC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)C(=O)Cc1ccc2c(ccn2C)c1.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(OCc2ccccc2)cc1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc(CC#N)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn([C@@H](C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21
InChIInChI=1S/C17H24N2.C16H21NO2.C16H18O.C15H23NO2.C14H18N2.C14H17NO.C14H15NO.C13H14N2.C12H12FN.C11H14N2.C11H13N.C10H18N2/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)14(16)9-11-4-5-13-12(8-11)6-7-15(13)3;1-11(2)6-7-12-4-3-5-13(8-12)14-9-15-10-16-14;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-9(2)12(13)7-10-3-5-11(8-14)6-4-10;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)9-6-11-12(7-9)10(3,4)5/h8-13H,5-7H2,1-4H3;6-11H,1-5H3;3-11,13H,12H2,1-2H3;7-11H,1-6H3;4-12H,1-3H3;4-8,10H,9H2,1-3H3;3-11H,1-2H3;4-7,9H,1-3H3;3-7,9H,1-2H3;4-8H,1-3H3;3-5,8-9H,6H2,1-2H3;6-8H,1-5H3/b;;;;;;7-6+;;12-7-;;;/t12-;;;;12-;;;;;;;/m1...0......./s1
InChIKeyGACOZGHRBPBZMG-HIDXMMQESA-N
XLogP43.73
TPSA265.61 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.55
LogP ≤ 543.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile with MolForge

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Related Compounds

1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;methane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole
CID 157418117
1-Ethyl-5-methyl-2-[3-(trifluoromethyl)phenyl]indole;1-ethyl-5-methyl-2-[4-(trifluoromethyl)phenyl]indole;1-(2-methoxyethyl)-5-methyl-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-1-(oxolan-3-yl)-2-[4-(trifluoromethyl)phenyl]indole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1-benzofuran;5-methyl-2-[4-(trifluoromethyl)phenyl]indazole
CID 159818316
4-(5-Methyl-1,3-benzoxazol-2-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-piperidin-1-ylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;1-[1-(3-pyrrolidin-1-ylpropyl)indazol-5-yl]-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 159996012
1-cyclopropyl-4-propan-2-ylpiperidine;1-(difluoromethyl)-5-propan-2-ylindazole;1-(difluoromethyl)-6-propan-2-ylindazole;1,1-difluoro-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylindazole;1-methyl-5-propan-2-ylindazole;1-methyl-6-propan-2-ylindazole;1-methyl-7-propan-2-ylindazole;4-methyl-4-propan-2-yloxane;5-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1H-indazole
CID 160566726
3-[(1S,2S)-1-[5-[(4S)-2,2-dimethyloxan-4-yl]-2-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[4-(4-fluoro-1-methylindazol-5-yl)-5-methyl-1,3-oxazol-2-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
CID 177288963
1,5-dimethylindazole;1,6-dimethylindazole;1,5-dimethylindole;1,6-dimethylindole;2,5-dimethyl-3H-isoindol-1-one;ethane;methane;5-methyl-1,2-benzoxazole;5-methyl-1,3-benzoxazole;6-methyl-1,2-benzoxazole;6-methyl-1,3-benzoxazole;2-methylnaphthalene
CID 157248855
1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;1,3-dimethyl-5-propan-2-ylindazole;2-methyl-N-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]propanamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;1-methyl-5-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;1-phenyl-4-propan-2-ylpyrazole;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 157304480
1-[(2S)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-(3-propan-2-ylphenyl)carbamate;(3R)-3-(3-cyclopropyl-5-propan-2-ylindazol-1-yl)butanenitrile;2-methyl-N-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]propanamide;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;1-methyl-5-propan-2-ylindazole-3-carboxamide;1-methyl-2-propan-2-ylindole;(4E)-4-(2-methylpropylidene)-2,3-dihydro-1H-naphthalene;1-phenylmethoxy-3-propan-2-ylbenzene;5-(3-propan-2-ylphenyl)-2H-tetrazole;5-(4-propan-2-ylphenyl)-2H-tetrazole
CID 157417975
2-(2,4-dimethylphenyl)-1,3-oxazole;1-(2,4-dimethylphenyl)pyrazole;2-(2,4-dimethylphenyl)pyridine;1-(2-fluoro-6-methylphenyl)pyrazole;1-(5-fluoro-2-methylphenyl)pyrazole;3-(2-fluoro-6-methylphenyl)-2H-pyrrole;3-(4-fluoro-2-methylphenyl)-2H-pyrrole;bis(1-(4-methoxy-2-methylphenyl)pyrazole);4-methyl-2-(2-methylphenyl)-1,3-oxazole;2-(2-methylphenyl)-1,3-oxazole;1-(2,4,5-trimethylphenyl)pyrazole
CID 157442662
6-(1-ethylindazol-6-yl)-2-(3H-indol-2-yl)-1,3-benzoxazole;6-(2-ethylindazol-6-yl)-2-(3H-indol-2-yl)-1,3-benzoxazole
CID 157747967
5-tert-butyl-3-cyclopropyl-1-methylindazole;5-tert-butyl-1-methyl-3-(1-methylpyrazol-4-yl)indazole;2-tert-butyl-1-methyl-6-(1-methylpyrazol-4-yl)indole;1-tert-butyl-3-methyl-2-propan-2-ylindole;5-tert-butyl-3-(1-methylpyrazol-4-yl)-1H-indazole;2-[5-tert-butyl-3-(1-methylpyrazol-4-yl)indazol-1-yl]ethanol;methyl 3-tert-butyl-1-methylindole-6-carboxylate;2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide;2-methyl-N-(3-propan-2-yloxyphenyl)propanamide
CID 158220310
1-benzyl-4-propan-2-ylpyrazole;1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;1,6-dimethyl-3-propan-2-ylindole;1,5-di(propan-2-yl)indole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;4-[(E)-3-methylbut-1-enyl]benzonitrile;1-methyl-3-[(E)-3-methylbut-1-enyl]benzene;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-propan-2-yl-1-benzofuran;2-(3-propan-2-ylphenyl)acetonitrile;2-(4-propan-2-ylpyrazol-1-yl)pyridine;sulfur dioxide
CID 158883535

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile (CID 158193982) is 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile is CC(C)/C(F)=C/c1ccc(C#N)cc1.CC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)C(=O)Cc1ccc2c(ccn2C)c1.CC(C)c1cc2ccc(C#N)cc2n1C.CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.CC(C)c1ccc(N(C)C(=O)OC(C)(C)C)cc1.CC(C)c1ccc(OCc2ccccc2)cc1.CC(C)c1ccc2c(cnn2C)c1.CC(C)c1cccc(CC#N)c1.CC(C)c1cnn(C(C)(C)C)c1.CC(C)c1cnn([C@@H](C)c2ccccc2)c1.CC[C@@H](C)n1nc(C2CC2)c2cc(C(C)C)ccc21.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile?
The InChIKey is GACOZGHRBPBZMG-HIDXMMQESA-N. The full InChI is InChI=1S/C17H24N2.C16H21NO2.C16H18O.C15H23NO2.C14H18N2.C14H17NO.C14H15NO.C13H14N2.C12H12FN.C11H14N2.C11H13N.C10H18N2/c1-5-12(4)19-16-9-8-14(11(2)3)10-15(16)17(18-19)13-6-7-13;1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5;1-13(2)15-8-10-16(11-9-15)17-12-14-6-4-3-5-7-14;1-11(2)12-7-9-13(10-8-12)16(6)14(17)18-15(3,4)5;1-11(2)14-9-15-16(10-14)12(3)13-7-5-4-6-8-13;1-10(2)14(16)9-11-4-5-13-12(8-11)6-7-15(13)3;1-11(2)6-7-12-4-3-5-13(8-12)14-9-15-10-16-14;1-9(2)12-7-11-5-4-10(8-14)6-13(11)15(12)3;1-9(2)12(13)7-10-3-5-11(8-14)6-4-10;1-8(2)9-4-5-11-10(6-9)7-12-13(11)3;1-9(2)11-5-3-4-10(8-11)6-7-12;1-8(2)9-6-11-12(7-9)10(3,4)5/h8-13H,5-7H2,1-4H3;6-11H,1-5H3;3-11,13H,12H2,1-2H3;7-11H,1-6H3;4-12H,1-3H3;4-8,10H,9H2,1-3H3;3-11H,1-2H3;4-7,9H,1-3H3;3-7,9H,1-2H3;4-8H,1-3H3;3-5,8-9H,6H2,1-2H3;6-8H,1-5H3/b;;;;;;7-6+;;12-7-;;;/t12-;;;;12-;;;;;;;/m1...0......./s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile?
1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile has a molecular weight of 2521.55 g/mol, XLogP of 43.73, 27 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-cyclopropyl-5-propan-2-ylindazole;tert-butyl N-methyl-N-(4-propan-2-ylphenyl)carbamate;tert-butyl 2-propan-2-ylindole-1-carboxylate;1-tert-butyl-4-propan-2-ylpyrazole;4-[(Z)-2-fluoro-3-methylbut-1-enyl]benzonitrile;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-methyl-2-propan-2-ylindole-6-carbonitrile;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile is sourced from PubChem (CID 158193982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).