1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine

C174H240Cl2F4N18O3 — CID 159250253

IUPAC1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC#Cc1ccc(OC)c(F)c1CC(C)C.CC(C)Cc1c[nH]c2ccc(Cl)cc12.CC(C)Cc1cc2c(cc1F)CNC2.CC(C)Cc1cnc2[nH]ccc2c1.COc1ccc(-c2ccoc2)c(CC(C)C)c1F.Cc1cc(CC(C)C)c(C)nc1N.Cc1cc(CN)cc(C)c1CC(C)C.Cc1cc2c(cc1CC(C)C)CNC2.Cc1ccc(Cl)c(CC(C)C)c1F.Cc1ccc2n[nH]c(CC(C)C)c2c1.Cc1ccc2n[nH]c(CC(C)C)c2c1.Cc1nc(N)cc(C(C)C)c1CC(C)C.Cc1nc(N)cc(C2CC2)c1CC(C)C.Cc1nc2[nH]ccc2c(C)c1CC(C)C
InChIInChI=1S/C15H17FO2.C13H15FO.C13H18N2.C13H20N2.C13H22N2.C13H19N.C13H21N.C12H14ClN.C12H16FN.2C12H16N2.C11H14ClF.C11H14N2.C11H18N2/c1-10(2)8-13-12(11-6-7-18-9-11)4-5-14(17-3)15(13)16;1-5-10-6-7-12(15-4)13(14)11(10)8-9(2)3;1-8(2)7-12-9(3)11-5-6-14-13(11)15-10(12)4;1-8(2)6-11-9(3)15-13(14)7-12(11)10-4-5-10;1-8(2)6-12-10(5)15-13(14)7-11(12)9(3)4;1-9(2)4-11-6-13-8-14-7-12(13)5-10(11)3;1-9(2)5-13-10(3)6-12(8-14)7-11(13)4;1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12;1-8(2)3-9-4-10-6-14-7-11(10)5-12(9)13;2*1-8(2)6-12-10-7-9(3)4-5-11(10)13-14-12;1-7(2)6-9-10(12)5-4-8(3)11(9)13;1-8(2)5-9-6-10-3-4-12-11(10)13-7-9;1-7(2)5-10-6-8(3)11(12)13-9(10)4/h4-7,9-10H,8H2,1-3H3;1,6-7,9H,8H2,2-4H3;5-6,8H,7H2,1-4H3,(H,14,15);7-8,10H,4-6H2,1-3H3,(H2,14,15);7-9H,6H2,1-5H3,(H2,14,15);5-6,9,14H,4,7-8H2,1-3H3;6-7,9H,5,8,14H2,1-4H3;3-4,6-8,14H,5H2,1-2H3;4-5,8,14H,3,6-7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3,(H,13,14);4-5,7H,6H2,1-3H3;3-4,6-8H,5H2,1-2H3,(H,12,13);6-7H,5H2,1-4H3,(H2,12,13)
InChIKeyKVEXVPBAUCORFM-UHFFFAOYSA-N
MW2778.85 g/mol
LogP44.80
Rot. Bonds34

About 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine

1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159250253) has the molecular formula C174H240Cl2F4N18O3 and a molecular weight of 2778.85 g/mol. Its IUPAC name is 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID159250253
Molecular FormulaC174H240Cl2F4N18O3
Molecular Weight2778.85 g/mol
Exact Mass2775.85
IUPAC Name1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
SMILESC#Cc1ccc(OC)c(F)c1CC(C)C.CC(C)Cc1c[nH]c2ccc(Cl)cc12.CC(C)Cc1cc2c(cc1F)CNC2.CC(C)Cc1cnc2[nH]ccc2c1.COc1ccc(-c2ccoc2)c(CC(C)C)c1F.Cc1cc(CC(C)C)c(C)nc1N.Cc1cc(CN)cc(C)c1CC(C)C.Cc1cc2c(cc1CC(C)C)CNC2.Cc1ccc(Cl)c(CC(C)C)c1F.Cc1ccc2n[nH]c(CC(C)C)c2c1.Cc1ccc2n[nH]c(CC(C)C)c2c1.Cc1nc(N)cc(C(C)C)c1CC(C)C.Cc1nc(N)cc(C2CC2)c1CC(C)C.Cc1nc2[nH]ccc2c(C)c1CC(C)C
InChIInChI=1S/C15H17FO2.C13H15FO.C13H18N2.C13H20N2.C13H22N2.C13H19N.C13H21N.C12H14ClN.C12H16FN.2C12H16N2.C11H14ClF.C11H14N2.C11H18N2/c1-10(2)8-13-12(11-6-7-18-9-11)4-5-14(17-3)15(13)16;1-5-10-6-7-12(15-4)13(14)11(10)8-9(2)3;1-8(2)7-12-9(3)11-5-6-14-13(11)15-10(12)4;1-8(2)6-11-9(3)15-13(14)7-12(11)10-4-5-10;1-8(2)6-12-10(5)15-13(14)7-11(12)9(3)4;1-9(2)4-11-6-13-8-14-7-12(13)5-10(11)3;1-9(2)5-13-10(3)6-12(8-14)7-11(13)4;1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12;1-8(2)3-9-4-10-6-14-7-11(10)5-12(9)13;2*1-8(2)6-12-10-7-9(3)4-5-11(10)13-14-12;1-7(2)6-9-10(12)5-4-8(3)11(9)13;1-8(2)5-9-6-10-3-4-12-11(10)13-7-9;1-7(2)5-10-6-8(3)11(12)13-9(10)4/h4-7,9-10H,8H2,1-3H3;1,6-7,9H,8H2,2-4H3;5-6,8H,7H2,1-4H3,(H,14,15);7-8,10H,4-6H2,1-3H3,(H2,14,15);7-9H,6H2,1-5H3,(H2,14,15);5-6,9,14H,4,7-8H2,1-3H3;6-7,9H,5,8,14H2,1-4H3;3-4,6-8,14H,5H2,1-2H3;4-5,8,14H,3,6-7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3,(H,13,14);4-5,7H,6H2,1-3H3;3-4,6-8H,5H2,1-2H3,(H,12,13);6-7H,5H2,1-4H3,(H2,12,13)
InChIKeyKVEXVPBAUCORFM-UHFFFAOYSA-N
XLogP44.80
TPSA328.92 Ų
H-Bond Donors11
H-Bond Acceptors16
Rotatable Bonds34
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002778.85
LogP ≤ 544.80
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

2-[2-(2-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;2-[2-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethanone
CID 157982958
4-tert-butyl-1-benzofuran;4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;7-tert-butyl-3-chloro-1,6-dimethylindazole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-3-chloro-6-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;4-tert-butyl-3-cyclopropyl-5-fluoro-2H-indazole;7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-1-benzofuran;7-tert-butyl-1-cyclopropyl-6-methylindazole;7-tert-butyl-1,6-dimethylbenzimidazole;4-tert-butyl-3,5-dimethyl-1-benzofuran;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindole;4-tert-butyl-5-fluoro-3-methyl-2H-indazole;4-tert-butyl-5-methyl-1-benzofuran
CID 158330625
1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indene;1-[4-chloro-2-(2-methylpropyl)phenyl]pyrazole;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;bis(1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene);3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;2-fluoro-4-methyl-3-(2-methylpropyl)phenol;methane;bis(1-methoxy-2,4-dimethyl-3-(2-methylpropyl)benzene);bis(5-methyl-3-(2-methylpropyl)-1H-isoindole);5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;2,3,6-trimethyl-5-(2-methylpropyl)pyridine
CID 158586835
4-tert-butyl-1-benzofuran;7-tert-butyl-3-chloro-1,6-dimethylindazole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-3-chloro-6-methyl-2H-indazole;4-tert-butyl-3-cyclopropyl-5-fluoro-2H-indazole;7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-1-benzofuran;7-tert-butyl-1-cyclopropyl-6-methylindazole;7-tert-butyl-1,6-dimethylbenzimidazole;4-tert-butyl-3,5-dimethyl-1-benzofuran;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindole;4-tert-butyl-5-fluoro-3-methyl-2H-indazole;4-tert-butyl-5-methyl-1-benzofuran
CID 158667866
4-tert-butyl-1-benzofuran;4-tert-butyl-5-chloro-3-cyclopropyl-2H-indazole;7-tert-butyl-6-chloro-1-cyclopropylindazole;4-tert-butyl-5-chloro-3-methyl-2H-indazole;7-tert-butyl-3-chloro-6-methyl-2H-indazole;7-tert-butyl-6-chloro-1-methylindazole;4-tert-butyl-3-cyclopropyl-5-fluoro-2H-indazole;7-tert-butyl-1-cyclopropyl-6-fluoroindazole;4-tert-butyl-3-cyclopropyl-5-methyl-1-benzofuran;7-tert-butyl-1-cyclopropyl-6-methylindazole;7-tert-butyl-1,6-dimethylbenzimidazole;4-tert-butyl-3,5-dimethyl-1-benzofuran;4-tert-butyl-3,5-dimethyl-2H-indazole;7-tert-butyl-1,6-dimethylindole;4-tert-butyl-5-fluoro-3-methyl-2H-indazole;4-tert-butyl-5-methyl-1-benzofuran
CID 158686062
3-(2-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(3-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;3-(4-chlorophenyl)-N-cyclohexyl-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(furan-3-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(3-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine;N-cyclohexyl-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 158709413
1-[(2S,6R)-4-[6-chloro-7-(3-cyclopropyl-5-methyl-2H-indazol-4-yl)-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoroquinazolin-4-yl]-2,6-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-7-(3,5-dimethylbenzimidazol-4-yl)-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-7-(1,6-dimethylindazol-7-yl)-8-fluoroquinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one;1-[(2R,5S)-4-[6-chloro-2-[3-(dimethylamino)azetidin-1-yl]-8-fluoro-7-(5-methyl-1-benzofuran-4-yl)quinazolin-4-yl]-2,5-dimethylpiperazin-1-yl]prop-2-en-1-one
CID 158995248
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
CID 159286747
6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-fluoro-5-isocyano-4-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyridin-2-amine;6-(5-chloro-2H-pyrazolo[3,4-b]pyridin-3-yl)-3-fluoro-5-isocyano-4-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyridin-2-amine;4-cyclopropyl-3-fluoro-5-isocyano-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;3-fluoro-4-(furan-2-yl)-5-isocyano-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine;3-fluoro-4-(furan-2-yl)-5-isocyano-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]-6-(7H-pyrrolo[2,3-d]pyrimidin-5-yl)pyridin-2-amine
CID 159884810
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;6-chloro-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;6-fluoro-7-methylisoquinolin-1-amine;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
CID 160292130
4-chloro-2-fluoro-3-(2-methylpropyl)phenol;1-chloro-4-methoxy-3-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);5-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine
CID 162126166
6-chloroquinoline;cinnoline;6-fluoroquinoline;1H-imidazo[4,5-b]pyridine;5H-imidazo[4,5-c]pyridazine;3H-imidazo[4,5-c]pyridine;3-(1H-imidazol-5-yl)pyridine;5-(1H-imidazol-5-yl)pyrimidine;isoquinoline;2-(2-methoxyphenyl)furan;6-methoxyquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;5-phenyl-1H-imidazole;5-phenyl-2H-tetrazole;phthalazine;bis(7H-purine);pyridine;quinazoline;quinoline;quinoxaline
CID 162205838

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine (CID 159250253) is 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine is C#Cc1ccc(OC)c(F)c1CC(C)C.CC(C)Cc1c[nH]c2ccc(Cl)cc12.CC(C)Cc1cc2c(cc1F)CNC2.CC(C)Cc1cnc2[nH]ccc2c1.COc1ccc(-c2ccoc2)c(CC(C)C)c1F.Cc1cc(CC(C)C)c(C)nc1N.Cc1cc(CN)cc(C)c1CC(C)C.Cc1cc2c(cc1CC(C)C)CNC2.Cc1ccc(Cl)c(CC(C)C)c1F.Cc1ccc2n[nH]c(CC(C)C)c2c1.Cc1ccc2n[nH]c(CC(C)C)c2c1.Cc1nc(N)cc(C(C)C)c1CC(C)C.Cc1nc(N)cc(C2CC2)c1CC(C)C.Cc1nc2[nH]ccc2c(C)c1CC(C)C.
What is the InChIKey of 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KVEXVPBAUCORFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2.C13H15FO.C13H18N2.C13H20N2.C13H22N2.C13H19N.C13H21N.C12H14ClN.C12H16FN.2C12H16N2.C11H14ClF.C11H14N2.C11H18N2/c1-10(2)8-13-12(11-6-7-18-9-11)4-5-14(17-3)15(13)16;1-5-10-6-7-12(15-4)13(14)11(10)8-9(2)3;1-8(2)7-12-9(3)11-5-6-14-13(11)15-10(12)4;1-8(2)6-11-9(3)15-13(14)7-12(11)10-4-5-10;1-8(2)6-12-10(5)15-13(14)7-11(12)9(3)4;1-9(2)4-11-6-13-8-14-7-12(13)5-10(11)3;1-9(2)5-13-10(3)6-12(8-14)7-11(13)4;1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12;1-8(2)3-9-4-10-6-14-7-11(10)5-12(9)13;2*1-8(2)6-12-10-7-9(3)4-5-11(10)13-14-12;1-7(2)6-9-10(12)5-4-8(3)11(9)13;1-8(2)5-9-6-10-3-4-12-11(10)13-7-9;1-7(2)5-10-6-8(3)11(12)13-9(10)4/h4-7,9-10H,8H2,1-3H3;1,6-7,9H,8H2,2-4H3;5-6,8H,7H2,1-4H3,(H,14,15);7-8,10H,4-6H2,1-3H3,(H2,14,15);7-9H,6H2,1-5H3,(H2,14,15);5-6,9,14H,4,7-8H2,1-3H3;6-7,9H,5,8,14H2,1-4H3;3-4,6-8,14H,5H2,1-2H3;4-5,8,14H,3,6-7H2,1-2H3;2*4-5,7-8H,6H2,1-3H3,(H,13,14);4-5,7H,6H2,1-3H3;3-4,6-8H,5H2,1-2H3,(H,12,13);6-7H,5H2,1-4H3,(H2,12,13).
What are the key properties of 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine?
1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2778.85 g/mol, XLogP of 44.80, 34 rotatable bonds, 11 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-4-methyl-2-(2-methylpropyl)benzene;5-chloro-3-(2-methylpropyl)-1H-indole;4-cyclopropyl-6-methyl-5-(2-methylpropyl)pyridin-2-amine;[3,5-dimethyl-4-(2-methylpropyl)phenyl]methanamine;3,6-dimethyl-5-(2-methylpropyl)pyridin-2-amine;4,6-dimethyl-5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;1-ethynyl-3-fluoro-4-methoxy-2-(2-methylpropyl)benzene;3-[3-fluoro-4-methoxy-2-(2-methylpropyl)phenyl]furan;5-fluoro-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;5-methyl-6-(2-methylpropyl)-2,3-dihydro-1H-isoindole;bis(5-methyl-3-(2-methylpropyl)-2H-indazole);6-methyl-5-(2-methylpropyl)-4-propan-2-ylpyridin-2-amine;5-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159250253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).