cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one

C296H483N33O4 — CID 158948563

IUPACcumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2[nH]c(=O)c(C(C)C)cc2c1.CC(C)c1ccc2[nH]cc(C(C)C)c2c1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccn2cc(C(C)C)nc2c1.CC(C)c1ccn2cc(C(C)C)nc2c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc2[nH]c(=O)c(C(C)C)cc2c1.CC(C)c1cnc2cccnn12.CC(C)c1cnn2c(C(C)C)cnc2c1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C16H20.C15H19NO.C14H18N2O.2C14H19N.2C13H18N2.C13H14.C12H17N3.C12H13NO.C12H18.C11H12N2O.2C11H17N.2C10H16N2.C9H11N3.C9H16N2.C9H12.2C8H15N3.C8H11N.22C2H6/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-9(2)11-5-6-14-12(7-11)8-13(10(3)4)15(17)16-14;1-8(2)11-5-10-6-12(9(3)4)14(17)16-13(10)15-7-11;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-9(2)11-5-6-15-8-12(10(3)4)14-13(15)7-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-5-12-13-7-11(9(3)4)15(12)14-6-10;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-7(2)9-5-11(6-10-9)8(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-7(2)8-5-3-4-6-9-8;22*1-2/h5-12H,1-4H3;5-10H,1-4H3,(H,16,17);5-9H,1-4H3,(H,15,16,17);5-10,15H,1-4H3;5-11H,1-4H3;2*5-10H,1-4H3;3-10H,1-2H3;5-9H,1-4H3;3-8H,1-2H3,(H,13,14);5-10H,1-4H3;3-7H,1-2H3,(H,12,13,14);2*5-9H,1-4H3;2*5-8H,1-4H3;3-7H,1-2H3;5-8H,1-4H3;3-8H,1-2H3;2*5-7H,1-4H3;3-7H,1-2H3;22*1-2H3
InChIKeyJLDCBHWLGXKXMA-UHFFFAOYSA-N
MW4568.35 g/mol
LogP91.62
Rot. Bonds38

About cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one

cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one (PubChem CID 158948563) has the molecular formula C296H483N33O4 and a molecular weight of 4568.35 g/mol. Its IUPAC name is cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Namecumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one
PubChem CID158948563
Molecular FormulaC296H483N33O4
Molecular Weight4568.35 g/mol
Exact Mass4564.86
IUPAC Namecumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2[nH]c(=O)c(C(C)C)cc2c1.CC(C)c1ccc2[nH]cc(C(C)C)c2c1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccn2cc(C(C)C)nc2c1.CC(C)c1ccn2cc(C(C)C)nc2c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc2[nH]c(=O)c(C(C)C)cc2c1.CC(C)c1cnc2cccnn12.CC(C)c1cnn2c(C(C)C)cnc2c1.CC(C)c1ncn(C(C)C)n1
InChIInChI=1S/C16H20.C15H19NO.C14H18N2O.2C14H19N.2C13H18N2.C13H14.C12H17N3.C12H13NO.C12H18.C11H12N2O.2C11H17N.2C10H16N2.C9H11N3.C9H16N2.C9H12.2C8H15N3.C8H11N.22C2H6/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-9(2)11-5-6-14-12(7-11)8-13(10(3)4)15(17)16-14;1-8(2)11-5-10-6-12(9(3)4)14(17)16-13(10)15-7-11;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-9(2)11-5-6-15-8-12(10(3)4)14-13(15)7-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-5-12-13-7-11(9(3)4)15(12)14-6-10;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-7(2)9-5-11(6-10-9)8(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-7(2)8-5-3-4-6-9-8;22*1-2/h5-12H,1-4H3;5-10H,1-4H3,(H,16,17);5-9H,1-4H3,(H,15,16,17);5-10,15H,1-4H3;5-11H,1-4H3;2*5-10H,1-4H3;3-10H,1-2H3;5-9H,1-4H3;3-8H,1-2H3,(H,13,14);5-10H,1-4H3;3-7H,1-2H3,(H,12,13,14);2*5-9H,1-4H3;2*5-8H,1-4H3;3-7H,1-2H3;5-8H,1-4H3;3-8H,1-2H3;2*5-7H,1-4H3;3-7H,1-2H3;22*1-2H3
InChIKeyJLDCBHWLGXKXMA-UHFFFAOYSA-N
XLogP91.62
TPSA442.39 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms333
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004568.35
LogP ≤ 591.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one with MolForge

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Related Compounds

3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1-[2-[3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]anilino]ethyl-methylamino]indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 136619702
1-[[2-[5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-fluorophenyl)-1H-indol-7-yl]methyl]-3-[5-[3-[4-(3-fluorophenyl)-1H-indol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylurea
CID 137087771
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-6-fluoro-3-(4-piperidin-1-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-6-fluoro-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145034334
N-[5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-7-yl]-4-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
CID 145034461
N-[5-[6-fluoro-7-[4-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]-2-pyridinyl]-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034654
N-[5-[6-fluoro-7-[2-fluoro-5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034805
N-[5-[4-fluoro-3-[8-[4-[[4-fluoro-3-[7-(4-methylimidazol-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-indazol-7-yl]methyl]imidazol-1-yl]-1,4-dihydroimidazo[4,5-b]azepin-2-yl]-1-methylindazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 145036562
N-[5-[3-(5-amino-8-pyridin-4-yl-3,4-dihydrocyclohepta[d]imidazol-2-yl)-6-fluoro-7-[4-[2-[6-fluoro-1-methyl-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]indazol-3-yl]-3,4-dihydroimidazo[4,5-b]azepin-8-yl]-2-pyridinyl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145036787
N-[5-[7-[2-fluoro-5-[5-methyl-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-3,4-dihydrocyclohepta[d]imidazol-8-yl]phenyl]-3-[7-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145252871
N-[5-[3-[7-[3-[2-[[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-[(dimethylamino)methyl]-3-pyridinyl]indazol-1-yl]methyl-methylamino]ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 145650650

Frequently Asked Questions

What is the IUPAC name of cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one (CID 158948563) is cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc2ccccc2[nH]c1=O.CC(C)c1cc2cccnc2[nH]c1=O.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc2[nH]c(=O)c(C(C)C)cc2c1.CC(C)c1ccc2[nH]cc(C(C)C)c2c1.CC(C)c1ccc2c(ccn2C(C)C)c1.CC(C)c1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1ccn2cc(C(C)C)nc2c1.CC(C)c1ccn2cc(C(C)C)nc2c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnc(C(C)C)cn1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc2[nH]c(=O)c(C(C)C)cc2c1.CC(C)c1cnc2cccnn12.CC(C)c1cnn2c(C(C)C)cnc2c1.CC(C)c1ncn(C(C)C)n1.
What is the InChIKey of cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is JLDCBHWLGXKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20.C15H19NO.C14H18N2O.2C14H19N.2C13H18N2.C13H14.C12H17N3.C12H13NO.C12H18.C11H12N2O.2C11H17N.2C10H16N2.C9H11N3.C9H16N2.C9H12.2C8H15N3.C8H11N.22C2H6/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13;1-9(2)11-5-6-14-12(7-11)8-13(10(3)4)15(17)16-14;1-8(2)11-5-10-6-12(9(3)4)14(17)16-13(10)15-7-11;1-9(2)11-5-6-14-12(7-11)13(8-15-14)10(3)4;1-10(2)12-5-6-14-13(9-12)7-8-15(14)11(3)4;2*1-9(2)11-5-6-15-8-12(10(3)4)14-13(15)7-11;1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-8(2)10-5-12-13-7-11(9(3)4)15(12)14-6-10;1-8(2)10-7-9-5-3-4-6-11(9)13-12(10)14;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-6-8-4-3-5-12-10(8)13-11(9)14;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-7(2)9-5-12-10(6-11-9)8(3)4;1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)8-6-10-9-4-3-5-11-12(8)9;1-7(2)9-5-11(6-10-9)8(3)4;1-8(2)9-6-4-3-5-7-9;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-7(2)8-5-3-4-6-9-8;22*1-2/h5-12H,1-4H3;5-10H,1-4H3,(H,16,17);5-9H,1-4H3,(H,15,16,17);5-10,15H,1-4H3;5-11H,1-4H3;2*5-10H,1-4H3;3-10H,1-2H3;5-9H,1-4H3;3-8H,1-2H3,(H,13,14);5-10H,1-4H3;3-7H,1-2H3,(H,12,13,14);2*5-9H,1-4H3;2*5-8H,1-4H3;3-7H,1-2H3;5-8H,1-4H3;3-8H,1-2H3;2*5-7H,1-4H3;3-7H,1-2H3;22*1-2H3.
What are the key properties of cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one?
cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 4568.35 g/mol, XLogP of 91.62, 38 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1,4-di(propan-2-yl)benzene;bis(2,7-di(propan-2-yl)imidazo[1,2-a]pyridine);3,7-di(propan-2-yl)imidazo[1,2-b]pyridazine;1,4-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)indole;3,5-di(propan-2-yl)-1H-indole;2,6-di(propan-2-yl)naphthalene;3,6-di(propan-2-yl)-1H-1,8-naphthyridin-2-one;2,5-di(propan-2-yl)pyrazine;bis(2,5-di(propan-2-yl)pyridine);2,5-di(propan-2-yl)pyrimidine;3,6-di(propan-2-yl)-1H-quinolin-2-one;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;ethane;3-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylnaphthalene;3-propan-2-yl-1H-1,8-naphthyridin-2-one;2-propan-2-ylpyridine;3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 158948563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).