1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole

C195H261F2N27O9 — CID 159074013

IUPAC1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole
SMILESC=C1CCc2ccc(C(C)C)cc2N1C1COC1.C=C1COc2ccc(C(C)C)cc2N1CC.C=Cc1nn(C(C)C)c2cc(C(C)C)ccc12.CC(C)c1ccc2c(CCO)nn(C(C)C)c2c1.CC(C)c1ccc2c(c1)CC(=O)N2C(C)C.CC(C)c1ccc2c(c1)[nH]c(=O)n2C.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnn(C(C)C)c2c1.CC(C)c1ccc2cnn(C(C)C3CC3)c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2cnn(C3CC(F)(F)C3)c2c1.CC(C)c1ccc2nonc2c1.CCOc1cnc(C(C)C)nc1OC.COCCc1nn(C(C)C)c2cc(C(C)C)ccc12.Cc1nn(C)c2cc(C(C)C)ccc12
InChIInChI=1S/C16H24N2O.C16H21NO.C15H22N2O.2C15H20N2.C14H16F2N2.2C14H19NO.C13H18N2.C12H16N2.C11H14N2O.C11H14N2.C10H16N2O2.C10H12N2.C9H10N2O/c1-11(2)13-6-7-14-15(8-9-19-5)17-18(12(3)4)16(14)10-13;1-11(2)14-7-6-13-5-4-12(3)17(16(13)8-14)15-9-18-10-15;1-10(2)12-5-6-13-14(7-8-18)16-17(11(3)4)15(13)9-12;1-10(2)13-6-7-14-9-16-17(15(14)8-13)11(3)12-4-5-12;1-6-14-13-8-7-12(10(2)3)9-15(13)17(16-14)11(4)5;1-9(2)10-3-4-11-8-17-18(13(11)5-10)12-6-14(15,16)7-12;1-9(2)11-5-6-13-12(7-11)8-14(16)15(13)10(3)4;1-5-15-11(4)9-16-14-7-6-12(10(2)3)8-13(14)15;1-9(2)11-5-6-12-8-14-15(10(3)4)13(12)7-11;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-7(2)8-4-5-10-9(6-8)12-11(14)13(10)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-5-14-8-6-11-9(7(2)3)12-10(8)13-4;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8/h6-7,10-12H,8-9H2,1-5H3;6-8,11,15H,3-5,9-10H2,1-2H3;5-6,9-11,18H,7-8H2,1-4H3;6-12H,4-5H2,1-3H3;6-11H,1H2,2-5H3;3-5,8-9,12H,6-7H2,1-2H3;5-7,9-10H,8H2,1-4H3;6-8,10H,4-5,9H2,1-3H3;5-10H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,14);4-8H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3
InChIKeyKAAHBMJNRWVTOF-UHFFFAOYSA-N
MW3165.41 g/mol
LogP48.45
Rot. Bonds34

About 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole

1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole (PubChem CID 159074013) has the molecular formula C195H261F2N27O9 and a molecular weight of 3165.41 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole
PubChem CID159074013
Molecular FormulaC195H261F2N27O9
Molecular Weight3165.41 g/mol
Exact Mass3163.08
IUPAC Name1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole
SMILESC=C1CCc2ccc(C(C)C)cc2N1C1COC1.C=C1COc2ccc(C(C)C)cc2N1CC.C=Cc1nn(C(C)C)c2cc(C(C)C)ccc12.CC(C)c1ccc2c(CCO)nn(C(C)C)c2c1.CC(C)c1ccc2c(c1)CC(=O)N2C(C)C.CC(C)c1ccc2c(c1)[nH]c(=O)n2C.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnn(C(C)C)c2c1.CC(C)c1ccc2cnn(C(C)C3CC3)c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2cnn(C3CC(F)(F)C3)c2c1.CC(C)c1ccc2nonc2c1.CCOc1cnc(C(C)C)nc1OC.COCCc1nn(C(C)C)c2cc(C(C)C)ccc12.Cc1nn(C)c2cc(C(C)C)ccc12
InChIInChI=1S/C16H24N2O.C16H21NO.C15H22N2O.2C15H20N2.C14H16F2N2.2C14H19NO.C13H18N2.C12H16N2.C11H14N2O.C11H14N2.C10H16N2O2.C10H12N2.C9H10N2O/c1-11(2)13-6-7-14-15(8-9-19-5)17-18(12(3)4)16(14)10-13;1-11(2)14-7-6-13-5-4-12(3)17(16(13)8-14)15-9-18-10-15;1-10(2)12-5-6-13-14(7-8-18)16-17(11(3)4)15(13)9-12;1-10(2)13-6-7-14-9-16-17(15(14)8-13)11(3)12-4-5-12;1-6-14-13-8-7-12(10(2)3)9-15(13)17(16-14)11(4)5;1-9(2)10-3-4-11-8-17-18(13(11)5-10)12-6-14(15,16)7-12;1-9(2)11-5-6-13-12(7-11)8-14(16)15(13)10(3)4;1-5-15-11(4)9-16-14-7-6-12(10(2)3)8-13(14)15;1-9(2)11-5-6-12-8-14-15(10(3)4)13(12)7-11;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-7(2)8-4-5-10-9(6-8)12-11(14)13(10)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-5-14-8-6-11-9(7(2)3)12-10(8)13-4;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8/h6-7,10-12H,8-9H2,1-5H3;6-8,11,15H,3-5,9-10H2,1-2H3;5-6,9-11,18H,7-8H2,1-4H3;6-12H,4-5H2,1-3H3;6-11H,1H2,2-5H3;3-5,8-9,12H,6-7H2,1-2H3;5-7,9-10H,8H2,1-4H3;6-8,10H,4-5,9H2,1-3H3;5-10H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,14);4-8H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3
InChIKeyKAAHBMJNRWVTOF-UHFFFAOYSA-N
XLogP48.45
TPSA366.90 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003165.41
LogP ≤ 548.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole with MolForge

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Related Compounds

1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-2-methylidene-6-propan-2-yl-1H-benzimidazole;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2H-benzimidazole;6-propan-2-yl-1H-indole
CID 157734058
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-1-[4-(2-ethylpyrazol-3-yl)phenyl]-2-hydroxyethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 164875449
(2S)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-(2,3,6-trifluorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954608
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(3,5-difluoro-4-pyridinyl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170954630
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(3-fluoro-2-pyridinyl)phenyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 170954691
(2S)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-1-[4-(5-fluoropyrimidin-4-yl)phenyl]-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 170954730
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-(4-pyrazin-2-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 170954739
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 170954767
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(3-methylpyrazin-2-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954777
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methylpyridazin-3-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954803
1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-iodo-2-methoxyethoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-N-[(1R)-2-hydroxy-1-[4-(2-methoxy-3-pyridinyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 170954841
(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-[(2S)-2-methoxypropoxy]quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-(4-pyridazin-4-ylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 170954870

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole?
The IUPAC name of 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole (CID 159074013) is 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole.
What is the SMILES notation for 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole?
The canonical SMILES for 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole is C=C1CCc2ccc(C(C)C)cc2N1C1COC1.C=C1COc2ccc(C(C)C)cc2N1CC.C=Cc1nn(C(C)C)c2cc(C(C)C)ccc12.CC(C)c1ccc2c(CCO)nn(C(C)C)c2c1.CC(C)c1ccc2c(c1)CC(=O)N2C(C)C.CC(C)c1ccc2c(c1)[nH]c(=O)n2C.CC(C)c1ccc2cn[nH]c2c1.CC(C)c1ccc2cnn(C(C)C)c2c1.CC(C)c1ccc2cnn(C(C)C3CC3)c2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2cnn(C3CC(F)(F)C3)c2c1.CC(C)c1ccc2nonc2c1.CCOc1cnc(C(C)C)nc1OC.COCCc1nn(C(C)C)c2cc(C(C)C)ccc12.Cc1nn(C)c2cc(C(C)C)ccc12.
What is the InChIKey of 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole?
The InChIKey is KAAHBMJNRWVTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.C16H21NO.C15H22N2O.2C15H20N2.C14H16F2N2.2C14H19NO.C13H18N2.C12H16N2.C11H14N2O.C11H14N2.C10H16N2O2.C10H12N2.C9H10N2O/c1-11(2)13-6-7-14-15(8-9-19-5)17-18(12(3)4)16(14)10-13;1-11(2)14-7-6-13-5-4-12(3)17(16(13)8-14)15-9-18-10-15;1-10(2)12-5-6-13-14(7-8-18)16-17(11(3)4)15(13)9-12;1-10(2)13-6-7-14-9-16-17(15(14)8-13)11(3)12-4-5-12;1-6-14-13-8-7-12(10(2)3)9-15(13)17(16-14)11(4)5;1-9(2)10-3-4-11-8-17-18(13(11)5-10)12-6-14(15,16)7-12;1-9(2)11-5-6-13-12(7-11)8-14(16)15(13)10(3)4;1-5-15-11(4)9-16-14-7-6-12(10(2)3)8-13(14)15;1-9(2)11-5-6-12-8-14-15(10(3)4)13(12)7-11;1-8(2)10-5-6-11-9(3)13-14(4)12(11)7-10;1-7(2)8-4-5-10-9(6-8)12-11(14)13(10)3;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-5-14-8-6-11-9(7(2)3)12-10(8)13-4;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-6(2)7-3-4-8-9(5-7)11-12-10-8/h6-7,10-12H,8-9H2,1-5H3;6-8,11,15H,3-5,9-10H2,1-2H3;5-6,9-11,18H,7-8H2,1-4H3;6-12H,4-5H2,1-3H3;6-11H,1H2,2-5H3;3-5,8-9,12H,6-7H2,1-2H3;5-7,9-10H,8H2,1-4H3;6-8,10H,4-5,9H2,1-3H3;5-10H,1-4H3;5-8H,1-4H3;4-7H,1-3H3,(H,12,14);4-8H,1-3H3;6-7H,5H2,1-4H3;3-7H,1-2H3,(H,11,12);3-6H,1-2H3.
What are the key properties of 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole?
1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole has a molecular weight of 3165.41 g/mol, XLogP of 48.45, 34 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-6-propan-2-ylindazole;1-(3,3-difluorocyclobutyl)-6-propan-2-ylindazole;1,3-dimethyl-6-propan-2-ylindazole;1,6-di(propan-2-yl)indazole;2-[1,6-di(propan-2-yl)indazol-3-yl]ethanol;1,5-di(propan-2-yl)-3H-indol-2-one;3-ethenyl-1,6-di(propan-2-yl)indazole;5-ethoxy-4-methoxy-2-propan-2-ylpyrimidine;4-ethyl-3-methylidene-6-propan-2-yl-1,4-benzoxazine;3-(2-methoxyethyl)-1,6-di(propan-2-yl)indazole;2-methylidene-1-(oxetan-3-yl)-7-propan-2-yl-3,4-dihydroquinoline;3-methyl-6-propan-2-yl-1H-benzimidazol-2-one;1-methyl-6-propan-2-ylindazole;5-propan-2-yl-2,1,3-benzoxadiazole;6-propan-2-yl-1H-indazole is sourced from PubChem (CID 159074013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).