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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine

C172H222N18O8 — CID 162021935

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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine
SMILESCC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)C(=O)Cc1ccc2c(ccn2C)c1.CC(C)C(=O)Nc1ccc(C#N)cc1.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(-c2cccnc2)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.Cc1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C17H24N2.C16H21NO2.C16H18O.C15H23NO2.C14H18N2.C14H17NO.C14H15NO.C12H16.C11H13N3.C11H12N2O.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;1-10(2)4-7-12-8-5-11(3)6-9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-8(2)11(14)13-10-5-3-9(7-12)4-6-10;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;4-10H,1-3H3;3-9H,1-2H3;3-6,8H,1-2H3,(H,13,14);4-8H,1-3H3;3-5,8-9H,6H2,1-2H3;6-8H,1-5H3/b;;;;;;7-6+;7-4+;;;;;/t12-;;;;12-;;;;;;;;/m1...0......../s1
InChIKeyYUVZAXULYCPTCJ-YNJAQEEFSA-N
MW2669.79 g/mol
LogP45.24
Rot. Bonds30

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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine

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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine (PubChem CID 162021935) has the molecular formula C172H222N18O8 and a molecular weight of 2669.79 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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine.

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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine
PubChem CID162021935
Molecular FormulaC172H222N18O8
Molecular Weight2669.79 g/mol
Exact Mass2667.75
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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine
SMILESCC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)C(=O)Cc1ccc2c(ccn2C)c1.CC(C)C(=O)Nc1ccc(C#N)cc1.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(-c2cccnc2)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.Cc1ccc(/C=C/C(C)C)cc1
InChIInChI=1S/C17H24N2.C16H21NO2.C16H18O.C15H23NO2.C14H18N2.C14H17NO.C14H15NO.C12H16.C11H13N3.C11H12N2O.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;1-10(2)4-7-12-8-5-11(3)6-9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-8(2)11(14)13-10-5-3-9(7-12)4-6-10;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;4-10H,1-3H3;3-9H,1-2H3;3-6,8H,1-2H3,(H,13,14);4-8H,1-3H3;3-5,8-9H,6H2,1-2H3;6-8H,1-5H3/b;;;;;;7-6+;7-4+;;;;;/t12-;;;;12-;;;;;;;;/m1...0......../s1
InChIKeyYUVZAXULYCPTCJ-YNJAQEEFSA-N
XLogP45.24
TPSA296.70 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds30
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002669.79
LogP ≤ 545.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine with MolForge

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Related Compounds

1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;bis(1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate);1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
CID 160287882
1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(1,4-dimethylpyrazol-3-yl)-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-methyl-1,3-oxazol-2-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(1-methylpyrazol-3-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(1,3-oxazol-5-yl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)-1,3-oxazol-2-yl]indol-2-yl]phenyl]carbamate
CID 160627022
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-[(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
2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole
CID 157423783
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 157543994
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
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
N-(2-adamantyl)-1-pentylindazole-3-carboxamide;N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pentylindazole-3-carboxamide;N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-[(4-methylphenyl)methyl]indazole-3-carboxamide;quinolin-8-yl 1-hexylindole-3-carboxylate;quinolin-8-yl 1-pentylindole-3-carboxylate
CID 158598318
4-amino-3-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-indazol-2-ylphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-(1-prop-2-enoylpiperidin-3-yl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 158697999
4-amino-3-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-3-(4-indazol-2-ylphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-6H-pyrazolo[4,5-d]pyridazin-7-one;4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]-6H-pyrazolo[4,5-d]pyridazin-7-one
CID 158698000

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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine (CID 162021935) 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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine.
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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine is CC(C)/C=C/c1cccc(-c2cnco2)c1.CC(C)C(=O)Cc1ccc2c(ccn2C)c1.CC(C)C(=O)Nc1ccc(C#N)cc1.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(-c2cccnc2)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.Cc1ccc(/C=C/C(C)C)cc1.
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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
The InChIKey is YUVZAXULYCPTCJ-YNJAQEEFSA-N. The full InChI is InChI=1S/C17H24N2.C16H21NO2.C16H18O.C15H23NO2.C14H18N2.C14H17NO.C14H15NO.C12H16.C11H13N3.C11H12N2O.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;1-10(2)4-7-12-8-5-11(3)6-9-12;1-9(2)10-6-13-14(8-10)11-4-3-5-12-7-11;1-8(2)11(14)13-10-5-3-9(7-12)4-6-10;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;4-10H,1-3H3;3-9H,1-2H3;3-6,8H,1-2H3,(H,13,14);4-8H,1-3H3;3-5,8-9H,6H2,1-2H3;6-8H,1-5H3/b;;;;;;7-6+;7-4+;;;;;/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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine?
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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine has a molecular weight of 2669.79 g/mol, XLogP of 45.24, 30 rotatable bonds, 1 hydrogen bond donors, and 24 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;N-(4-cyanophenyl)-2-methylpropanamide;5-[3-[(E)-3-methylbut-1-enyl]phenyl]-1,3-oxazole;1-methyl-4-[(E)-3-methylbut-1-enyl]benzene;3-methyl-1-(1-methylindol-5-yl)butan-2-one;1-methyl-5-propan-2-ylindazole;1-[(1S)-1-phenylethyl]-4-propan-2-ylpyrazole;1-phenylmethoxy-4-propan-2-ylbenzene;2-(3-propan-2-ylphenyl)acetonitrile;3-(4-propan-2-ylpyrazol-1-yl)pyridine is sourced from PubChem (CID 162021935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).