(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline

C226H296F2N34S — CID 159219003

IUPAC(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline
SMILESCC(C)N1CC[C@@H]2CCCC[C@@H]2C1.CC(C)N1CC[C@H]2CCCC[C@@H]2C1.CC(C)N1CCc2cccnc2C1.CC(C)N1CCc2ccncc2C1.CC(C)N1CCc2cnccc2C1.CC(C)N1Cc2ccccc2C(F)(F)C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ccncc2C1.CC(C)c1ccc2c(c1)c(-c1ccncc1)nn2C.CC(C)c1ccc2c(c1)c(-c1cnccn1)nn2C.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2scnc2c1.Cc1c(-c2cc(C(C)C)ccn2)ccc2c1C=NC2.Cc1c2c(nn1C)CCN(C(C)C)C2.Cc1cc(-c2cc(C(C)C)ccn2)cc2c1CN=C2.Cc1cc2c(cc1-c1cc(C(C)C)ccn1)C=NC2
InChIInChI=1S/3C17H18N2.C16H17N3.C15H16N4.C12H15F2N.C12H13N.2C12H23N.C11H19N3.C11H14N2.3C11H16N2.C11H15N.2C10H14N2.C10H11NS/c1-11(2)13-4-5-19-17(8-13)16-7-15-10-18-9-14(15)6-12(16)3;1-11(2)13-4-5-19-17(8-13)14-6-12(3)16-10-18-9-15(16)7-14;1-11(2)13-6-7-19-17(8-13)15-5-4-14-9-18-10-16(14)12(15)3;1-11(2)13-4-5-15-14(10-13)16(18-19(15)3)12-6-8-17-9-7-12;1-10(2)11-4-5-14-12(8-11)15(18-19(14)3)13-9-16-6-7-17-13;1-9(2)15-7-10-5-3-4-6-11(10)12(13,14)8-15;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)14-6-5-11-10(7-14)9(3)13(4)12-11;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-9(2)13-6-4-10-7-12-5-3-11(10)8-13;1-9(2)13-6-4-10-3-5-12-7-11(10)8-13;1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-9-3-4-11-5-10(9)7-12;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;4-8,10-11H,9H2,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;2*10-12H,3-9H2,1-2H3;8H,5-7H2,1-4H3;4-8H,1-3H3;2*3,5,7,9H,4,6,8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-7H,1-2H3/t;;;;;;;11-,12+;11-,12-;;;;;;;;;/m.......01........./s1
InChIKeyKRLCXVOBDGITMI-KRCJOFOGSA-N
MW3559.15 g/mol
LogP50.60
Rot. Bonds23

About (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline

(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline (PubChem CID 159219003) has the molecular formula C226H296F2N34S and a molecular weight of 3559.15 g/mol. Its IUPAC name is (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline.

Molecular Properties

Compound Name(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline
PubChem CID159219003
Molecular FormulaC226H296F2N34S
Molecular Weight3559.15 g/mol
Exact Mass3556.39
IUPAC Name(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline
SMILESCC(C)N1CC[C@@H]2CCCC[C@@H]2C1.CC(C)N1CC[C@H]2CCCC[C@@H]2C1.CC(C)N1CCc2cccnc2C1.CC(C)N1CCc2ccncc2C1.CC(C)N1CCc2cnccc2C1.CC(C)N1Cc2ccccc2C(F)(F)C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ccncc2C1.CC(C)c1ccc2c(c1)c(-c1ccncc1)nn2C.CC(C)c1ccc2c(c1)c(-c1cnccn1)nn2C.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2scnc2c1.Cc1c(-c2cc(C(C)C)ccn2)ccc2c1C=NC2.Cc1c2c(nn1C)CCN(C(C)C)C2.Cc1cc(-c2cc(C(C)C)ccn2)cc2c1CN=C2.Cc1cc2c(cc1-c1cc(C(C)C)ccn1)C=NC2
InChIInChI=1S/3C17H18N2.C16H17N3.C15H16N4.C12H15F2N.C12H13N.2C12H23N.C11H19N3.C11H14N2.3C11H16N2.C11H15N.2C10H14N2.C10H11NS/c1-11(2)13-4-5-19-17(8-13)16-7-15-10-18-9-14(15)6-12(16)3;1-11(2)13-4-5-19-17(8-13)14-6-12(3)16-10-18-9-15(16)7-14;1-11(2)13-6-7-19-17(8-13)15-5-4-14-9-18-10-16(14)12(15)3;1-11(2)13-4-5-15-14(10-13)16(18-19(15)3)12-6-8-17-9-7-12;1-10(2)11-4-5-14-12(8-11)15(18-19(14)3)13-9-16-6-7-17-13;1-9(2)15-7-10-5-3-4-6-11(10)12(13,14)8-15;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)14-6-5-11-10(7-14)9(3)13(4)12-11;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-9(2)13-6-4-10-7-12-5-3-11(10)8-13;1-9(2)13-6-4-10-3-5-12-7-11(10)8-13;1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-9-3-4-11-5-10(9)7-12;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;4-8,10-11H,9H2,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;2*10-12H,3-9H2,1-2H3;8H,5-7H2,1-4H3;4-8H,1-3H3;2*3,5,7,9H,4,6,8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-7H,1-2H3/t;;;;;;;11-,12+;11-,12-;;;;;;;;;/m.......01........./s1
InChIKeyKRLCXVOBDGITMI-KRCJOFOGSA-N
XLogP50.60
TPSA308.33 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds23
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003559.15
LogP ≤ 550.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclopropyl-4-(4-propan-2-ylphenyl)pyrazole;1-(difluoromethyl)-4-(4-propan-2-ylphenyl)pyrazole;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;3-(4-propan-2-ylphenyl)benzonitrile;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;1,3,5-trimethyl-4-(4-propan-2-ylphenyl)pyrazole
CID 157363158
(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,2-benzothiazole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline
CID 157607488
3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(5-carbazol-9-ylthiophen-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;6-[(9-ethylcarbazol-3-yl)methyl]-3-isocyano-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;hexakis(iridium);2-[(9-phenylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 157653177
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
12-[2-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4-(2,6-difluorophenyl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157676979
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
1-(Difluoromethyl)-4-(4-propan-2-ylphenyl)pyrazole;1,3-dimethyl-4-(4-propan-2-ylphenyl)pyrazole;1-ethyl-4-(4-propan-2-ylphenyl)pyrazole;2-methyl-5-propan-2-ylindazole;1-methyl-4-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazole;3-(4-propan-2-ylphenyl)benzonitrile;4-(3-propan-2-ylphenyl)pyridine;5-(4-propan-2-ylphenyl)-1,3-thiazole;4-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyrazole;1,3,5-trimethyl-4-(4-propan-2-ylphenyl)pyrazole
CID 158677852
3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(carbazol-9-ylmethyl)-3-methyl-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-(5-carbazol-9-ylthiophen-2-yl)-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[(9-ethylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;9-[6-(9-ethylcarbazol-3-yl)-2-pyridinyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide;hexakis(iridium);2-[(9-phenylcarbazol-3-yl)methyl]-11H-pyrazolo[1,5-f]phenanthridin-11-ide
CID 159185660
(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline
CID 159797936
2-(4-Dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine
CID 159798427
6-(2,7-Dimethylindazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methylindazol-5-yl)-2-(2-methylpiperidin-4-yl)-1,3-benzothiazole;6-[2-methyl-7-(trifluoromethyl)indazol-5-yl]-2-piperidin-4-yl-[1,3]thiazolo[4,5-c]pyridine
CID 160055007
3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-methyl-5-propan-2-ylindazole;1,3-dimethyl-5-propan-2-ylpyrazolo[4,3-d]pyrimidine;1,3-dimethyl-5-(4-propan-2-yl-2-pyridinyl)pyrazolo[4,3-d]pyrimidine;1-methyl-5-[(2S)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-[(2R)-1-methyl-4-propan-2-ylpiperazin-2-yl]indazole;1-methyl-5-(2-methyl-5-propan-2-yl-3-pyridinyl)pyrazolo[4,5-b]pyridine;1-methyl-5-propan-2-yl-3-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]indazole;2-propan-2-yl-5-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;5-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;6-(4-propan-2-ylpyrimidin-2-yl)quinolin-2-amine
CID 161533387

Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline?
The IUPAC name of (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline (CID 159219003) is (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline.
What is the SMILES notation for (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline?
The canonical SMILES for (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline is CC(C)N1CC[C@@H]2CCCC[C@@H]2C1.CC(C)N1CC[C@H]2CCCC[C@@H]2C1.CC(C)N1CCc2cccnc2C1.CC(C)N1CCc2ccncc2C1.CC(C)N1CCc2cnccc2C1.CC(C)N1Cc2ccccc2C(F)(F)C1.CC(C)N1Cc2ccccc2C1.CC(C)N1Cc2cccnc2C1.CC(C)N1Cc2ccncc2C1.CC(C)c1ccc2c(c1)c(-c1ccncc1)nn2C.CC(C)c1ccc2c(c1)c(-c1cnccn1)nn2C.CC(C)c1ccc2cnccc2c1.CC(C)c1ccc2cnn(C)c2c1.CC(C)c1ccc2scnc2c1.Cc1c(-c2cc(C(C)C)ccn2)ccc2c1C=NC2.Cc1c2c(nn1C)CCN(C(C)C)C2.Cc1cc(-c2cc(C(C)C)ccn2)cc2c1CN=C2.Cc1cc2c(cc1-c1cc(C(C)C)ccn1)C=NC2.
What is the InChIKey of (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline?
The InChIKey is KRLCXVOBDGITMI-KRCJOFOGSA-N. The full InChI is InChI=1S/3C17H18N2.C16H17N3.C15H16N4.C12H15F2N.C12H13N.2C12H23N.C11H19N3.C11H14N2.3C11H16N2.C11H15N.2C10H14N2.C10H11NS/c1-11(2)13-4-5-19-17(8-13)16-7-15-10-18-9-14(15)6-12(16)3;1-11(2)13-4-5-19-17(8-13)14-6-12(3)16-10-18-9-15(16)7-14;1-11(2)13-6-7-19-17(8-13)15-5-4-14-9-18-10-16(14)12(15)3;1-11(2)13-4-5-15-14(10-13)16(18-19(15)3)12-6-8-17-9-7-12;1-10(2)11-4-5-14-12(8-11)15(18-19(14)3)13-9-16-6-7-17-13;1-9(2)15-7-10-5-3-4-6-11(10)12(13,14)8-15;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;2*1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)14-6-5-11-10(7-14)9(3)13(4)12-11;1-8(2)9-4-5-10-7-12-13(3)11(10)6-9;1-9(2)13-6-4-10-7-12-5-3-11(10)8-13;1-9(2)13-6-4-10-3-5-12-7-11(10)8-13;1-9(2)13-7-5-10-4-3-6-12-11(10)8-13;1-9(2)12-7-10-5-3-4-6-11(10)8-12;1-8(2)12-6-9-3-4-11-5-10(9)7-12;1-8(2)12-6-9-4-3-5-11-10(9)7-12;1-7(2)8-3-4-10-9(5-8)11-6-12-10/h4-8,10-11H,9H2,1-3H3;4-9,11H,10H2,1-3H3;4-8,10-11H,9H2,1-3H3;4-11H,1-3H3;4-10H,1-3H3;3-6,9H,7-8H2,1-2H3;3-9H,1-2H3;2*10-12H,3-9H2,1-2H3;8H,5-7H2,1-4H3;4-8H,1-3H3;2*3,5,7,9H,4,6,8H2,1-2H3;3-4,6,9H,5,7-8H2,1-2H3;3-6,9H,7-8H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-7H,1-2H3/t;;;;;;;11-,12+;11-,12-;;;;;;;;;/m.......01........./s1.
What are the key properties of (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline?
(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline has a molecular weight of 3559.15 g/mol, XLogP of 50.60, 23 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline is sourced from PubChem (CID 159219003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).