1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole

C158H194BrN25O5 — CID 157288945

IUPAC1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole
SMILESCC(C)c1ccc(-c2ccc(Br)cc2)cc1.CC(C)c1ccc(-c2cnc(=O)[nH]c2)cc1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2c(cnn2C2CCOCC2)c1.CC(C)c1nccc(-c2ccc3c(cnn3C)c2)n1.CCCn1ncc2cc(C(C)C)ccc21.CCn1ncc2cc(C(C)C)ccc21.COc1ccc(-c2cc(C(C)C)ccn2)cc1OC.COc1ncc(-c2ccc(C(C)C)cc2)cn1.Cc1c2nc(C(C)C)ccc2nn1C.Cc1nn(C)c2ccc(C(C)C)nc12
InChIInChI=1S/C16H19NO2.C15H15Br.C15H16N4.C15H20N2O.C14H16N2O.C13H14N2O.2C13H18N2.C12H16N2.2C11H15N3.C10H12N2/c1-11(2)12-7-8-17-14(9-12)13-5-6-15(18-3)16(10-13)19-4;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-10(2)15-16-7-6-13(18-15)11-4-5-14-12(8-11)9-17-19(14)3;1-11(2)12-3-4-15-13(9-12)10-16-17(15)14-5-7-18-8-6-14;1-10(2)11-4-6-12(7-5-11)13-8-15-14(17-3)16-9-13;1-9(2)10-3-5-11(6-4-10)12-7-14-13(16)15-8-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-4-7-15-13-6-5-11(10(2)3)8-12(13)9-14-15;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-5-6-10-11(12-9)8(3)14(4)13-10;1-7(2)9-5-6-10-11(12-9)8(3)13-14(10)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h5-11H,1-4H3;3-11H,1-2H3;4-10H,1-3H3;3-4,9-11,14H,5-8H2,1-2H3;4-10H,1-3H3;3-9H,1-2H3,(H,14,15,16);5-10H,1-4H3;5-6,8-10H,4,7H2,1-3H3;5-9H,4H2,1-3H3;2*5-7H,1-4H3;3-7H,1-2H3,(H,11,12)
InChIKeyBAOLOQWUOADJFJ-UHFFFAOYSA-N
MW2603.36 g/mol
LogP39.61
Rot. Bonds25

About 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole

1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole (PubChem CID 157288945) has the molecular formula C158H194BrN25O5 and a molecular weight of 2603.36 g/mol. Its IUPAC name is 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole.

Molecular Properties

Compound Name1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole
PubChem CID157288945
Molecular FormulaC158H194BrN25O5
Molecular Weight2603.36 g/mol
Exact Mass2600.49
IUPAC Name1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole
SMILESCC(C)c1ccc(-c2ccc(Br)cc2)cc1.CC(C)c1ccc(-c2cnc(=O)[nH]c2)cc1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2c(cnn2C2CCOCC2)c1.CC(C)c1nccc(-c2ccc3c(cnn3C)c2)n1.CCCn1ncc2cc(C(C)C)ccc21.CCn1ncc2cc(C(C)C)ccc21.COc1ccc(-c2cc(C(C)C)ccn2)cc1OC.COc1ncc(-c2ccc(C(C)C)cc2)cn1.Cc1c2nc(C(C)C)ccc2nn1C.Cc1nn(C)c2ccc(C(C)C)nc12
InChIInChI=1S/C16H19NO2.C15H15Br.C15H16N4.C15H20N2O.C14H16N2O.C13H14N2O.2C13H18N2.C12H16N2.2C11H15N3.C10H12N2/c1-11(2)12-7-8-17-14(9-12)13-5-6-15(18-3)16(10-13)19-4;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-10(2)15-16-7-6-13(18-15)11-4-5-14-12(8-11)9-17-19(14)3;1-11(2)12-3-4-15-13(9-12)10-16-17(15)14-5-7-18-8-6-14;1-10(2)11-4-6-12(7-5-11)13-8-15-14(17-3)16-9-13;1-9(2)10-3-5-11(6-4-10)12-7-14-13(16)15-8-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-4-7-15-13-6-5-11(10(2)3)8-12(13)9-14-15;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-5-6-10-11(12-9)8(3)14(4)13-10;1-7(2)9-5-6-10-11(12-9)8(3)13-14(10)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h5-11H,1-4H3;3-11H,1-2H3;4-10H,1-3H3;3-4,9-11,14H,5-8H2,1-2H3;4-10H,1-3H3;3-9H,1-2H3,(H,14,15,16);5-10H,1-4H3;5-6,8-10H,4,7H2,1-3H3;5-9H,4H2,1-3H3;2*5-7H,1-4H3;3-7H,1-2H3,(H,11,12)
InChIKeyBAOLOQWUOADJFJ-UHFFFAOYSA-N
XLogP39.61
TPSA326.32 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002603.36
LogP ≤ 539.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole with MolForge

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Related Compounds

CID 157523316
CID 157523316
6-(3-bromo-4-fluorophenyl)-3-(4-fluoro-1H-indol-5-yl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine;6-(3-cyclopropyl-4-fluorophenyl)-2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)imidazo[1,2-a]pyrazine;2-(1,1-difluoroethyl)-3-(4-fluoro-1H-indazol-5-yl)-6-[2-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine
CID 158730247
N-[4-[3-bromo-4-[4-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]-6-[4-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-6-methoxynaphthalen-2-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 144215182
2-(1-tert-butylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(3,6-dihydro-2H-pyran-4-yl)-4-propan-2-ylpyrimidine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;2,3-dimethoxy-5-(4-propan-2-yl-2-pyridinyl)pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-propan-2-ylpyrimidine;2-(4-methylpiperazin-1-yl)-4-propan-2-ylpyrimidine;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;4-(4-propan-2-ylpyrimidin-2-yl)morpholine
CID 157166534
2-(5-methoxy-3-pyridinyl)-4-propan-2-ylpyridine;1-methyl-5-(6-propan-2-ylpyrazin-2-yl)indazole;1-methyl-5-(4-propan-2-yl-2-pyridinyl)indazole;1-methyl-5-(5-propan-2-yl-3-pyridinyl)indazole;1-methyl-6-(4-propan-2-yl-2-pyridinyl)indazole;1-methyl-6-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-(4-propan-2-ylpyrimidin-2-yl)indazole;1-methyl-5-(6-propan-2-ylpyrimidin-4-yl)indazole;5-(4-propan-2-yl-2-pyridinyl)-1H-indazole;5-(4-propan-2-yl-2-pyridinyl)-1H-pyrimidin-2-one;4-propan-2-yl-2-[3-(4H-triazol-5-yl)phenyl]pyridine
CID 157235746
[3-[5-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol;[3-[5-[3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]indazol-5-yl]-4-methyl-3-pyridinyl]phenyl]methanol;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;bis([3-(5-bromo-4-methyl-3-pyridinyl)phenyl]methanol);3,5-dibromo-4-methylpyridine;[3-(hydroxymethyl)phenyl]boronic acid
CID 157282691
sodium;N,N-di(ethyl)propan-2-amine;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyrimidine;1,5-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;1,3-dimethyl-6-(4-propan-2-yl-2-pyridinyl)pyrrolo[2,3-b]pyridine;1,2-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;1,3-dimethyl-6-propan-2-ylpyrrolo[2,3-b]pyridine;2-methyl-1-[(3S)-1-methylpyrrolidin-3-yl]-6-propan-2-ylbenzimidazole;1-methyl-5-(5-propan-2-ylpyridazin-3-yl)indazole;4-propan-2-yl-2H-pyrimidin-2-ide
CID 157290626
3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)indazole;3-(1H-benzimidazol-2-yl)-1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;3-(1H-benzimidazol-2-yl)-5-(4-methyl-5-pyridin-2-yl-3-pyridinyl)-1H-indazole
CID 157476519
1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;2-(1,5-dimethylpyrazol-4-yl)-4-propan-2-ylpyrimidine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;2-(1-methylpiperidin-4-yl)-5-propan-2-ylpyrazolo[4,3-b]pyridine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole
CID 157686945
3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine
CID 158034853
4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)benzene-1,2-diol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158316954
8-bromo-4-propan-2-ylquinazoline;3-methylbutan-2-ylbenzene;1-methyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-methyl-7-propan-2-ylpyrazolo[4,3-b]pyridine;2-methylpropylbenzene;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine;3-(2-methylpropyl)-1H-pyrrolo[2,3-b]pyridine;4-(2-methylpropyl)quinoline;6-(2-methylpropyl)quinoline;8-(2-methylpropyl)quinoline;7-propan-2-yl-1H-pyrazolo[4,3-b]pyridine;6-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;2-propan-2-yl-5-pyridin-3-ylpyrimidine;2-propan-2-yl-5-pyridin-4-ylpyrimidine;4-propan-2-yl-7H-pyrrolo[3,4-d]pyrimidine;4-propan-2-ylquinoline
CID 158545323

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole?
The IUPAC name of 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole (CID 157288945) is 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole.
What is the SMILES notation for 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole?
The canonical SMILES for 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole is CC(C)c1ccc(-c2ccc(Br)cc2)cc1.CC(C)c1ccc(-c2cnc(=O)[nH]c2)cc1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2c(cnn2C(C)C)c1.CC(C)c1ccc2c(cnn2C2CCOCC2)c1.CC(C)c1nccc(-c2ccc3c(cnn3C)c2)n1.CCCn1ncc2cc(C(C)C)ccc21.CCn1ncc2cc(C(C)C)ccc21.COc1ccc(-c2cc(C(C)C)ccn2)cc1OC.COc1ncc(-c2ccc(C(C)C)cc2)cn1.Cc1c2nc(C(C)C)ccc2nn1C.Cc1nn(C)c2ccc(C(C)C)nc12.
What is the InChIKey of 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole?
The InChIKey is BAOLOQWUOADJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C15H15Br.C15H16N4.C15H20N2O.C14H16N2O.C13H14N2O.2C13H18N2.C12H16N2.2C11H15N3.C10H12N2/c1-11(2)12-7-8-17-14(9-12)13-5-6-15(18-3)16(10-13)19-4;1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14;1-10(2)15-16-7-6-13(18-15)11-4-5-14-12(8-11)9-17-19(14)3;1-11(2)12-3-4-15-13(9-12)10-16-17(15)14-5-7-18-8-6-14;1-10(2)11-4-6-12(7-5-11)13-8-15-14(17-3)16-9-13;1-9(2)10-3-5-11(6-4-10)12-7-14-13(16)15-8-12;1-9(2)11-5-6-13-12(7-11)8-14-15(13)10(3)4;1-4-7-15-13-6-5-11(10(2)3)8-12(13)9-14-15;1-4-14-12-6-5-10(9(2)3)7-11(12)8-13-14;1-7(2)9-5-6-10-11(12-9)8(3)14(4)13-10;1-7(2)9-5-6-10-11(12-9)8(3)13-14(10)4;1-7(2)8-3-4-10-9(5-8)6-11-12-10/h5-11H,1-4H3;3-11H,1-2H3;4-10H,1-3H3;3-4,9-11,14H,5-8H2,1-2H3;4-10H,1-3H3;3-9H,1-2H3,(H,14,15,16);5-10H,1-4H3;5-6,8-10H,4,7H2,1-3H3;5-9H,4H2,1-3H3;2*5-7H,1-4H3;3-7H,1-2H3,(H,11,12).
What are the key properties of 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole?
1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole has a molecular weight of 2603.36 g/mol, XLogP of 39.61, 25 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-propan-2-ylphenyl)benzene;2-(3,4-dimethoxyphenyl)-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazolo[4,5-b]pyridine;2,3-dimethyl-5-propan-2-ylpyrazolo[4,3-b]pyridine;1,5-di(propan-2-yl)indazole;1-ethyl-5-propan-2-ylindazole;2-methoxy-5-(4-propan-2-ylphenyl)pyrimidine;1-methyl-5-(2-propan-2-ylpyrimidin-4-yl)indazole;1-(oxan-4-yl)-5-propan-2-ylindazole;5-propan-2-yl-1H-indazole;5-(4-propan-2-ylphenyl)-1H-pyrimidin-2-one;5-propan-2-yl-1-propylindazole is sourced from PubChem (CID 157288945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).