(1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine

C236H341F3N12O10 — CID 158405176

IUPAC(1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine
SMILESC=C1Cc2cc(CC(C)C)ccc2N1.CC(C)/C(=C/N1CCOCC1)c1ccccn1.CC(C)C.CC(C)C(CCN(C)C)c1ccccn1.CC(C)C(CCO)c1ccccc1.CC(C)C(c1ccccc1)C(F)F.CC(C)C1CC(=O)Cc2ccccc21.CC(C)C1CCCN(c2ccccc2)C1.CC(C)C1CCN(c2ccccc2)CC1.CC(C)CC1CN(c2ccccc2)CCO1.CC(C)CCC1CCCC1.CC(C)CCOc1ccccc1F.CC(C)Cc1ccc2c(c1)CNC2=O.CC(C)Cc1cccc(-c2ncco2)c1.CC(C)Cc1cccc(-n2cccn2)c1.CC(C)Cc1cccc(C23CC4CC(CC(O)(C4)C2)C3)c1.COCC(c1ccccc1)C(C)C.Cc1ccc(CC(C)C)cc1.Cc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C20H28O.C14H20N2O.C14H21NO.2C14H21N.C13H16N2.C13H22N2.C13H15NO.C13H17N.C13H16O.C12H15NO.3C12H18O.C11H14F2.C11H15FO.C11H16.C10H20.C4H10/c1-14(2)6-15-4-3-5-18(8-15)19-9-16-7-17(10-19)12-20(21,11-16)13-19;1-12(2)13(14-5-3-4-6-15-14)11-16-7-9-17-10-8-16;1-12(2)10-14-11-15(8-9-16-14)13-6-4-3-5-7-13;1-12(2)13-7-6-10-15(11-13)14-8-4-3-5-9-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)9-12-5-3-6-13(10-12)15-8-4-7-14-15;1-11(2)12(8-10-15(3)4)13-7-5-6-9-14-13;1-10(2)8-11-4-3-5-12(9-11)13-14-6-7-15-13;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-8(2)5-9-3-4-11-10(6-9)7-13-12(11)14;1-10(2)8-9-13-12-6-4-11(3)5-7-12;1-10(2)12(9-13-3)11-7-5-4-6-8-11;1-10(2)12(8-9-13)11-6-4-3-5-7-11;1-8(2)10(11(12)13)9-6-4-3-5-7-9;1-9(2)7-8-13-11-6-4-3-5-10(11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-8-10-5-3-4-6-10;1-4(2)3/h3-5,8,14,16-17,21H,6-7,9-13H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;3-5,8-9,12-13H,6-7,10-11H2,1-2H3;3-7,12-13H,8-11H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-7,9,11-12H,8,10H2,1-4H3;3-7,9-10H,8H2,1-2H3;4-5,8-9,14H,3,6-7H2,1-2H3;3-6,9,13H,7-8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);4-7,10H,8-9H2,1-3H3;4-8,10,12H,9H2,1-3H3;3-7,10,12-13H,8-9H2,1-2H3;3-8,10-11H,1-2H3;3-6,9H,7-8H2,1-2H3;4-7,9H,8H2,1-3H3;9-10H,3-8H2,1-2H3;4H,1-3H3/b;13-11-;;;;;;;;;;;;;;;;;
InChIKeyGYPGJMDNYFWDEH-AGPDYUAMSA-N
MW3563.39 g/mol
LogP59.47
Rot. Bonds53

About (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine

(1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine (PubChem CID 158405176) has the molecular formula C236H341F3N12O10 and a molecular weight of 3563.39 g/mol. Its IUPAC name is (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine.

Molecular Properties

Compound Name(1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine
PubChem CID158405176
Molecular FormulaC236H341F3N12O10
Molecular Weight3563.39 g/mol
Exact Mass3560.65
IUPAC Name(1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine
SMILESC=C1Cc2cc(CC(C)C)ccc2N1.CC(C)/C(=C/N1CCOCC1)c1ccccn1.CC(C)C.CC(C)C(CCN(C)C)c1ccccn1.CC(C)C(CCO)c1ccccc1.CC(C)C(c1ccccc1)C(F)F.CC(C)C1CC(=O)Cc2ccccc21.CC(C)C1CCCN(c2ccccc2)C1.CC(C)C1CCN(c2ccccc2)CC1.CC(C)CC1CN(c2ccccc2)CCO1.CC(C)CCC1CCCC1.CC(C)CCOc1ccccc1F.CC(C)Cc1ccc2c(c1)CNC2=O.CC(C)Cc1cccc(-c2ncco2)c1.CC(C)Cc1cccc(-n2cccn2)c1.CC(C)Cc1cccc(C23CC4CC(CC(O)(C4)C2)C3)c1.COCC(c1ccccc1)C(C)C.Cc1ccc(CC(C)C)cc1.Cc1ccc(OCCC(C)C)cc1
InChIInChI=1S/C20H28O.C14H20N2O.C14H21NO.2C14H21N.C13H16N2.C13H22N2.C13H15NO.C13H17N.C13H16O.C12H15NO.3C12H18O.C11H14F2.C11H15FO.C11H16.C10H20.C4H10/c1-14(2)6-15-4-3-5-18(8-15)19-9-16-7-17(10-19)12-20(21,11-16)13-19;1-12(2)13(14-5-3-4-6-15-14)11-16-7-9-17-10-8-16;1-12(2)10-14-11-15(8-9-16-14)13-6-4-3-5-7-13;1-12(2)13-7-6-10-15(11-13)14-8-4-3-5-9-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)9-12-5-3-6-13(10-12)15-8-4-7-14-15;1-11(2)12(8-10-15(3)4)13-7-5-6-9-14-13;1-10(2)8-11-4-3-5-12(9-11)13-14-6-7-15-13;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-8(2)5-9-3-4-11-10(6-9)7-13-12(11)14;1-10(2)8-9-13-12-6-4-11(3)5-7-12;1-10(2)12(9-13-3)11-7-5-4-6-8-11;1-10(2)12(8-9-13)11-6-4-3-5-7-11;1-8(2)10(11(12)13)9-6-4-3-5-7-9;1-9(2)7-8-13-11-6-4-3-5-10(11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-8-10-5-3-4-6-10;1-4(2)3/h3-5,8,14,16-17,21H,6-7,9-13H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;3-5,8-9,12-13H,6-7,10-11H2,1-2H3;3-7,12-13H,8-11H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-7,9,11-12H,8,10H2,1-4H3;3-7,9-10H,8H2,1-2H3;4-5,8-9,14H,3,6-7H2,1-2H3;3-6,9,13H,7-8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);4-7,10H,8-9H2,1-3H3;4-8,10,12H,9H2,1-3H3;3-7,10,12-13H,8-9H2,1-2H3;3-8,10-11H,1-2H3;3-6,9H,7-8H2,1-2H3;4-7,9H,8H2,1-3H3;9-10H,3-8H2,1-2H3;4H,1-3H3/b;13-11-;;;;;;;;;;;;;;;;;
InChIKeyGYPGJMDNYFWDEH-AGPDYUAMSA-N
XLogP59.47
TPSA230.64 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds53
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003563.39
LogP ≤ 559.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine with MolForge

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Related Compounds

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-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
CID 157075936
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;3,3-dimethylbutan-2-ylbenzene;3-(3,3-dimethylbutan-2-yl)oxane;3-(2,2-dimethylpropyl)pyridine;methane
CID 157373019
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157572346
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;5-tert-butyl-1-methylpyrazole;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 157647756
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-(3-ethylpentanoyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(3-ethylpentanoyl)-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide
CID 157738017
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158170368
bis(tert-butylbenzene);5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,2-difluoro-1,3-benzodioxole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-3,4-dihydro-2H-chromene;5-tert-butyl-2,2-dimethyl-1,3-benzodioxole;5-tert-butyl-1H-indazole;5-tert-butyl-6-methyl-1,3-benzodioxole;4-(4-tert-butyl-2-methylphenyl)piperidine;5-tert-butyl-1-methylpyrazole;1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone;1-[1-(4-tert-butylphenyl)piperidin-4-yl]piperazine;2-tert-butylpyridine;5-tert-butyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;ethane;methane
CID 158209522
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-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
CID 158399370
tert-butylbenzene;2-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;5-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 158547742
tert-butylbenzene;2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;1-tert-butyl-3-chlorobenzene;1-tert-butyl-2,3-difluorobenzene;1-tert-butyl-2,4-difluorobenzene;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;1-tert-butyl-3-fluorobenzene;3-tert-butyl-2-fluoropyridine;2-tert-butyl-1H-indene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-4-methylbenzene;3-tert-butyl-2-methyl-1-benzofuran;5-tert-butyl-1-methylpyrazole;bis(5-tert-butyl-2-methylpyridine);4-tert-butylpyridazine;3-tert-butyl-1H-pyrrole
CID 158762756
2-[5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone;2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;2-[8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-2-yl]-1-[3-(1-methylindazol-5-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl]ethanone
CID 158924833
3-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;2-tert-butyl-1,3-benzoxazole;6-tert-butyl-1,3-benzoxazole;1-tert-butyl-3,3-difluoroazetidine;1-tert-butyl-3,3-difluoropyrrolidine;7-tert-butyl-3,4-dihydro-2H-1,4-benzoxazine;6-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-3,4-dihydro-2H-pyran;1-tert-butyl-2-fluorobenzene;2-tert-butyl-1H-indene;5-tert-butyl-2-methyl-1,3-dihydroisoindole;2-tert-butyl-4-methylfuran;6-tert-butyl-1-methylindazole;2-tert-butyl-4-methyl-1,3-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-1H-pyrazole;4-tert-butylpyridazine;3-tert-butylquinoline;5-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
CID 159335036

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine?
The IUPAC name of (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine (CID 158405176) is (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine.
What is the SMILES notation for (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine?
The canonical SMILES for (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine is C=C1Cc2cc(CC(C)C)ccc2N1.CC(C)/C(=C/N1CCOCC1)c1ccccn1.CC(C)C.CC(C)C(CCN(C)C)c1ccccn1.CC(C)C(CCO)c1ccccc1.CC(C)C(c1ccccc1)C(F)F.CC(C)C1CC(=O)Cc2ccccc21.CC(C)C1CCCN(c2ccccc2)C1.CC(C)C1CCN(c2ccccc2)CC1.CC(C)CC1CN(c2ccccc2)CCO1.CC(C)CCC1CCCC1.CC(C)CCOc1ccccc1F.CC(C)Cc1ccc2c(c1)CNC2=O.CC(C)Cc1cccc(-c2ncco2)c1.CC(C)Cc1cccc(-n2cccn2)c1.CC(C)Cc1cccc(C23CC4CC(CC(O)(C4)C2)C3)c1.COCC(c1ccccc1)C(C)C.Cc1ccc(CC(C)C)cc1.Cc1ccc(OCCC(C)C)cc1.
What is the InChIKey of (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine?
The InChIKey is GYPGJMDNYFWDEH-AGPDYUAMSA-N. The full InChI is InChI=1S/C20H28O.C14H20N2O.C14H21NO.2C14H21N.C13H16N2.C13H22N2.C13H15NO.C13H17N.C13H16O.C12H15NO.3C12H18O.C11H14F2.C11H15FO.C11H16.C10H20.C4H10/c1-14(2)6-15-4-3-5-18(8-15)19-9-16-7-17(10-19)12-20(21,11-16)13-19;1-12(2)13(14-5-3-4-6-15-14)11-16-7-9-17-10-8-16;1-12(2)10-14-11-15(8-9-16-14)13-6-4-3-5-7-13;1-12(2)13-7-6-10-15(11-13)14-8-4-3-5-9-14;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-11(2)9-12-5-3-6-13(10-12)15-8-4-7-14-15;1-11(2)12(8-10-15(3)4)13-7-5-6-9-14-13;1-10(2)8-11-4-3-5-12(9-11)13-14-6-7-15-13;1-9(2)6-11-4-5-13-12(8-11)7-10(3)14-13;1-9(2)13-8-11(14)7-10-5-3-4-6-12(10)13;1-8(2)5-9-3-4-11-10(6-9)7-13-12(11)14;1-10(2)8-9-13-12-6-4-11(3)5-7-12;1-10(2)12(9-13-3)11-7-5-4-6-8-11;1-10(2)12(8-9-13)11-6-4-3-5-7-11;1-8(2)10(11(12)13)9-6-4-3-5-7-9;1-9(2)7-8-13-11-6-4-3-5-10(11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)7-8-10-5-3-4-6-10;1-4(2)3/h3-5,8,14,16-17,21H,6-7,9-13H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;3-7,12,14H,8-11H2,1-2H3;3-5,8-9,12-13H,6-7,10-11H2,1-2H3;3-7,12-13H,8-11H2,1-2H3;3-8,10-11H,9H2,1-2H3;5-7,9,11-12H,8,10H2,1-4H3;3-7,9-10H,8H2,1-2H3;4-5,8-9,14H,3,6-7H2,1-2H3;3-6,9,13H,7-8H2,1-2H3;3-4,6,8H,5,7H2,1-2H3,(H,13,14);4-7,10H,8-9H2,1-3H3;4-8,10,12H,9H2,1-3H3;3-7,10,12-13H,8-9H2,1-2H3;3-8,10-11H,1-2H3;3-6,9H,7-8H2,1-2H3;4-7,9H,8H2,1-3H3;9-10H,3-8H2,1-2H3;4H,1-3H3/b;13-11-;;;;;;;;;;;;;;;;;.
What are the key properties of (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine?
(1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine has a molecular weight of 3563.39 g/mol, XLogP of 59.47, 53 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-methylbutan-2-yl)benzene;1-fluoro-2-(3-methylbutoxy)benzene;(1-methoxy-3-methylbutan-2-yl)benzene;3-methylbutylcyclopentane;2-methylidene-5-(2-methylpropyl)-1,3-dihydroindole;1-methyl-4-(3-methylbutoxy)benzene;1-methyl-4-(2-methylpropyl)benzene;4-methyl-3-phenylpentan-1-ol;2-methylpropane;5-(2-methylpropyl)-2,3-dihydroisoindol-1-one;3-[3-(2-methylpropyl)phenyl]adamantan-1-ol;2-(2-methylpropyl)-4-phenylmorpholine;2-[3-(2-methylpropyl)phenyl]-1,3-oxazole;1-[3-(2-methylpropyl)phenyl]pyrazole;4-[(Z)-3-methyl-2-pyridin-2-ylbut-1-enyl]morpholine;1-phenyl-3-propan-2-ylpiperidine;1-phenyl-4-propan-2-ylpiperidine;4-propan-2-yl-3,4-dihydro-1H-naphthalen-2-one;N,N,4-trimethyl-3-pyridin-2-ylpentan-1-amine is sourced from PubChem (CID 158405176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).