1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine

C189H272N28O5S2 — CID 160649699

IUPAC1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine
SMILESCC.CC(C)c1cc2c(cn1)OC(C(C)C)C2.CC(C)c1cc2nc(C(C)C)oc2cn1.CC(C)c1ccc2c(ccn2C(C)C)n1.CC(C)c1ncc2c(C(C)C)cn(C)c2n1.CC(C)c1ncc2c(n1)CC(C(C)C)O2.Cc1c(C(C)C)c2ccc(C(C)C)nc2n1C.Cc1c(C(C)C)n(C)c2cnc(C(C)C)cc12.Cc1c(C(C)C)oc2ccc(C(C)C)nc12.Cc1c(C(C)C)oc2cnc(C(C)C)cc12.Cc1c(C(C)C)sc2ccc(C(C)C)nc12.Cc1c(C(C)C)sc2cnc(C(C)C)cc12.Cc1cn(C(C)C)c2cnc(C(C)C)nc12.Cc1nn(C(C)C)c2ccc(C(C)C)nc12.Cc1nn(C(C)C)c2cnc(C(C)C)nc12
InChIInChI=1S/2C15H22N2.2C14H19NO.2C14H19NS.3C13H19N3.C13H18N2.C13H19NO.C12H18N4.C12H18N2O.C12H16N2O.C2H6/c1-9(2)13-7-12-11(5)15(10(3)4)17(6)14(12)8-16-13;1-9(2)13-8-7-12-14(10(3)4)11(5)17(6)15(12)16-13;1-8(2)12-6-11-10(5)14(9(3)4)16-13(11)7-15-12;1-8(2)11-6-7-12-13(15-11)10(5)14(16-12)9(3)4;1-8(2)12-6-11-10(5)14(9(3)4)16-13(11)7-15-12;1-8(2)11-6-7-12-13(15-11)10(5)14(16-12)9(3)4;1-8(2)11-7-16(5)13-10(11)6-14-12(15-13)9(3)4;1-8(2)13-14-6-11-12(15-13)10(5)7-16(11)9(3)4;1-8(2)11-6-7-12-13(14-11)10(5)15-16(12)9(3)4;1-9(2)11-5-6-13-12(14-11)7-8-15(13)10(3)4;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-7(2)12-13-6-10-11(14-12)9(5)15-16(10)8(3)4;1-7(2)10-5-9-11(15-10)6-13-12(14-9)8(3)4;1-7(2)9-5-10-11(6-13-9)15-12(14-10)8(3)4;1-2/h2*7-10H,1-6H3;7*6-9H,1-5H3;5-10H,1-4H3;5,7-9,12H,6H2,1-4H3;6-8H,1-5H3;6-8,10H,5H2,1-4H3;5-8H,1-4H3;1-2H3
InChIKeyRKGINFIRJZEQEB-UHFFFAOYSA-N
MW3080.58 g/mol
LogP53.63
Rot. Bonds28

About 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine

1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine (PubChem CID 160649699) has the molecular formula C189H272N28O5S2 and a molecular weight of 3080.58 g/mol. Its IUPAC name is 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine.

Molecular Properties

Compound Name1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine
PubChem CID160649699
Molecular FormulaC189H272N28O5S2
Molecular Weight3080.58 g/mol
Exact Mass3078.13
IUPAC Name1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine
SMILESCC.CC(C)c1cc2c(cn1)OC(C(C)C)C2.CC(C)c1cc2nc(C(C)C)oc2cn1.CC(C)c1ccc2c(ccn2C(C)C)n1.CC(C)c1ncc2c(C(C)C)cn(C)c2n1.CC(C)c1ncc2c(n1)CC(C(C)C)O2.Cc1c(C(C)C)c2ccc(C(C)C)nc2n1C.Cc1c(C(C)C)n(C)c2cnc(C(C)C)cc12.Cc1c(C(C)C)oc2ccc(C(C)C)nc12.Cc1c(C(C)C)oc2cnc(C(C)C)cc12.Cc1c(C(C)C)sc2ccc(C(C)C)nc12.Cc1c(C(C)C)sc2cnc(C(C)C)cc12.Cc1cn(C(C)C)c2cnc(C(C)C)nc12.Cc1nn(C(C)C)c2ccc(C(C)C)nc12.Cc1nn(C(C)C)c2cnc(C(C)C)nc12
InChIInChI=1S/2C15H22N2.2C14H19NO.2C14H19NS.3C13H19N3.C13H18N2.C13H19NO.C12H18N4.C12H18N2O.C12H16N2O.C2H6/c1-9(2)13-7-12-11(5)15(10(3)4)17(6)14(12)8-16-13;1-9(2)13-8-7-12-14(10(3)4)11(5)17(6)15(12)16-13;1-8(2)12-6-11-10(5)14(9(3)4)16-13(11)7-15-12;1-8(2)11-6-7-12-13(15-11)10(5)14(16-12)9(3)4;1-8(2)12-6-11-10(5)14(9(3)4)16-13(11)7-15-12;1-8(2)11-6-7-12-13(15-11)10(5)14(16-12)9(3)4;1-8(2)11-7-16(5)13-10(11)6-14-12(15-13)9(3)4;1-8(2)13-14-6-11-12(15-13)10(5)7-16(11)9(3)4;1-8(2)11-6-7-12-13(14-11)10(5)15-16(12)9(3)4;1-9(2)11-5-6-13-12(14-11)7-8-15(13)10(3)4;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-7(2)12-13-6-10-11(14-12)9(5)15-16(10)8(3)4;1-7(2)10-5-9-11(15-10)6-13-12(14-9)8(3)4;1-7(2)9-5-10-11(6-13-9)15-12(14-10)8(3)4;1-2/h2*7-10H,1-6H3;7*6-9H,1-5H3;5-10H,1-4H3;5,7-9,12H,6H2,1-4H3;6-8H,1-5H3;6-8,10H,5H2,1-4H3;5-8H,1-4H3;1-2H3
InChIKeyRKGINFIRJZEQEB-UHFFFAOYSA-N
XLogP53.63
TPSA363.08 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds28
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003080.58
LogP ≤ 553.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
CID 157721749
CID 157721749
2-(3-Ethylsulfonyl-5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfinyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-3-methyl-6-(trifluoromethylsulfonyl)imidazo[4,5-b]pyridine;2-(3-ethylsulfonyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)-5-(trifluoromethylsulfonyl)-1,3-benzoxazole;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3,5-dimethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-4-one;2-[3-ethylsulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl]-3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridine
CID 158397330
CID 158736564
CID 158736564
CID 159771776
CID 159771776
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethyl)-5-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-ethyl-5-methylpyrazol-3-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethylthiophen-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 162287374
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(difluoromethyl)-5-methylpyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-ethylthiophen-2-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanone;(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 162287490
4-Fluoro-6-[5-[2-[4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[3,2-c]pyrazol-5-yl]piperidin-2-yl]piperidin-4-yl]thieno[3,2-c]pyrazol-2-yl]-2-methyl-1,3-benzoxazole
CID 166922941
2-[3-[2-[6-[3-(furan-2-yl)-5-pyrazin-2-yl-4-pyrimidin-2-yl-2-pyridinyl]-5-phenyl-4-(1H-pyrrol-2-ylsulfanyl)pyridazin-3-yl]-1H-imidazol-5-yl]-1H-pyrazol-4-yl]-4-(1,3-thiazol-2-yl)-1,3-oxazole
CID 136499328
4-[13-(3,8,10,12-Tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-8-yl)-8-thia-3,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-8-oxa-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 138721914

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine?
The IUPAC name of 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine (CID 160649699) is 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine.
What is the SMILES notation for 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine?
The canonical SMILES for 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine is CC.CC(C)c1cc2c(cn1)OC(C(C)C)C2.CC(C)c1cc2nc(C(C)C)oc2cn1.CC(C)c1ccc2c(ccn2C(C)C)n1.CC(C)c1ncc2c(C(C)C)cn(C)c2n1.CC(C)c1ncc2c(n1)CC(C(C)C)O2.Cc1c(C(C)C)c2ccc(C(C)C)nc2n1C.Cc1c(C(C)C)n(C)c2cnc(C(C)C)cc12.Cc1c(C(C)C)oc2ccc(C(C)C)nc12.Cc1c(C(C)C)oc2cnc(C(C)C)cc12.Cc1c(C(C)C)sc2ccc(C(C)C)nc12.Cc1c(C(C)C)sc2cnc(C(C)C)cc12.Cc1cn(C(C)C)c2cnc(C(C)C)nc12.Cc1nn(C(C)C)c2ccc(C(C)C)nc12.Cc1nn(C(C)C)c2cnc(C(C)C)nc12.
What is the InChIKey of 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine?
The InChIKey is RKGINFIRJZEQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H22N2.2C14H19NO.2C14H19NS.3C13H19N3.C13H18N2.C13H19NO.C12H18N4.C12H18N2O.C12H16N2O.C2H6/c1-9(2)13-7-12-11(5)15(10(3)4)17(6)14(12)8-16-13;1-9(2)13-8-7-12-14(10(3)4)11(5)17(6)15(12)16-13;1-8(2)12-6-11-10(5)14(9(3)4)16-13(11)7-15-12;1-8(2)11-6-7-12-13(15-11)10(5)14(16-12)9(3)4;1-8(2)12-6-11-10(5)14(9(3)4)16-13(11)7-15-12;1-8(2)11-6-7-12-13(15-11)10(5)14(16-12)9(3)4;1-8(2)11-7-16(5)13-10(11)6-14-12(15-13)9(3)4;1-8(2)13-14-6-11-12(15-13)10(5)7-16(11)9(3)4;1-8(2)11-6-7-12-13(14-11)10(5)15-16(12)9(3)4;1-9(2)11-5-6-13-12(14-11)7-8-15(13)10(3)4;1-8(2)11-5-10-6-12(9(3)4)15-13(10)7-14-11;1-7(2)12-13-6-10-11(14-12)9(5)15-16(10)8(3)4;1-7(2)10-5-9-11(15-10)6-13-12(14-9)8(3)4;1-7(2)9-5-10-11(6-13-9)15-12(14-10)8(3)4;1-2/h2*7-10H,1-6H3;7*6-9H,1-5H3;5-10H,1-4H3;5,7-9,12H,6H2,1-4H3;6-8H,1-5H3;6-8,10H,5H2,1-4H3;5-8H,1-4H3;1-2H3.
What are the key properties of 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine?
1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine has a molecular weight of 3080.58 g/mol, XLogP of 53.63, 28 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,6-di(propan-2-yl)pyrrolo[2,3-b]pyridine;1,3-dimethyl-2,5-di(propan-2-yl)pyrrolo[2,3-c]pyridine;2,5-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;2,6-di(propan-2-yl)-6,7-dihydrofuro[3,2-d]pyrimidine;2,6-di(propan-2-yl)-[1,3]oxazolo[5,4-c]pyridine;1,5-di(propan-2-yl)pyrrolo[3,2-b]pyridine;ethane;3-methyl-2,5-di(propan-2-yl)furo[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)furo[2,3-c]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,5-b]pyridine;3-methyl-1,5-di(propan-2-yl)pyrazolo[4,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[2,3-d]pyrimidine;7-methyl-2,5-di(propan-2-yl)pyrrolo[3,2-d]pyrimidine;3-methyl-2,5-di(propan-2-yl)thieno[3,2-b]pyridine;3-methyl-2,5-di(propan-2-yl)thieno[2,3-c]pyridine is sourced from PubChem (CID 160649699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).