5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine

C177H212N22O8S3 — CID 167675214

IUPAC5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine
SMILESCC(C)c1c(C2CC2)ccc2[nH]ncc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1cc(O)n2C.CC(C)c1cccc2cc(O)n(C)c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2cnoc12.CC(C)c1cccc2cnsc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2occc12.CC(C)c1cccc2oncc12.CC(C)c1cccc2sncc12.CC(C)c1nc(N)cc2ccccc12.COc1cc(C(C)C)c2c(cnn2C)c1.COc1cc(C(C)C)c2cn[nH]c2c1.Cc1ccc2c(N)nn(C(C)C)c2c1.Cc1ccc2cn(C)nc2c1C(C)C
InChIInChI=1S/C13H16N2.C12H16N2O.C12H16N2.C12H14N2.2C12H15NO.C11H15N3.C11H14N2O.2C11H12O.C10H12N2.2C10H11NO.3C10H11NS/c1-8(2)13-10(9-3-4-9)5-6-12-11(13)7-14-15-12;1-8(2)11-6-10(15-4)5-9-7-13-14(3)12(9)11;1-8(2)11-9(3)5-6-10-7-14(4)13-12(10)11;1-8(2)12-10-6-4-3-5-9(10)7-11(13)14-12;1-8(2)9-5-4-6-11-10(9)7-12(14)13(11)3;1-8(2)10-6-4-5-9-7-11(14)13(3)12(9)10;1-7(2)14-10-6-8(3)4-5-9(10)11(12)13-14;1-7(2)9-4-8(14-3)5-11-10(9)6-12-13-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9/h5-9H,3-4H2,1-2H3,(H,14,15);5-8H,1-4H3;5-8H,1-4H3;3-8H,1-2H3,(H2,13,14);2*4-8,14H,1-3H3;4-7H,1-3H3,(H2,12,13);4-7H,1-3H3,(H,12,13);2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-7H,1-2H3
InChIKeyUSCDIRYUYHKOPL-UHFFFAOYSA-N
MW2871.99 g/mol
LogP49.39
Rot. Bonds19

About 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine

5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine (PubChem CID 167675214) has the molecular formula C177H212N22O8S3 and a molecular weight of 2871.99 g/mol. Its IUPAC name is 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine
PubChem CID167675214
Molecular FormulaC177H212N22O8S3
Molecular Weight2871.99 g/mol
Exact Mass2869.60
IUPAC Name5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine
SMILESCC(C)c1c(C2CC2)ccc2[nH]ncc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1cc(O)n2C.CC(C)c1cccc2cc(O)n(C)c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2cnoc12.CC(C)c1cccc2cnsc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2occc12.CC(C)c1cccc2oncc12.CC(C)c1cccc2sncc12.CC(C)c1nc(N)cc2ccccc12.COc1cc(C(C)C)c2c(cnn2C)c1.COc1cc(C(C)C)c2cn[nH]c2c1.Cc1ccc2c(N)nn(C(C)C)c2c1.Cc1ccc2cn(C)nc2c1C(C)C
InChIInChI=1S/C13H16N2.C12H16N2O.C12H16N2.C12H14N2.2C12H15NO.C11H15N3.C11H14N2O.2C11H12O.C10H12N2.2C10H11NO.3C10H11NS/c1-8(2)13-10(9-3-4-9)5-6-12-11(13)7-14-15-12;1-8(2)11-6-10(15-4)5-9-7-13-14(3)12(9)11;1-8(2)11-9(3)5-6-10-7-14(4)13-12(10)11;1-8(2)12-10-6-4-3-5-9(10)7-11(13)14-12;1-8(2)9-5-4-6-11-10(9)7-12(14)13(11)3;1-8(2)10-6-4-5-9-7-11(14)13(3)12(9)10;1-7(2)14-10-6-8(3)4-5-9(10)11(12)13-14;1-7(2)9-4-8(14-3)5-11-10(9)6-12-13-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9/h5-9H,3-4H2,1-2H3,(H,14,15);5-8H,1-4H3;5-8H,1-4H3;3-8H,1-2H3,(H2,13,14);2*4-8,14H,1-3H3;4-7H,1-3H3,(H2,12,13);4-7H,1-3H3,(H,12,13);2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-7H,1-2H3
InChIKeyUSCDIRYUYHKOPL-UHFFFAOYSA-N
XLogP49.39
TPSA390.22 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002871.99
LogP ≤ 549.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

1-oxido-2-propan-2-ylindazol-1-ium;2-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;2-propan-2-yl-1H-indene;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-ylisoindole-1,3-dione;2-propan-2-yl-3H-isoindol-1-one;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 157318937
bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,2-benzothiazole;4,5-di(propan-2-yl)-1,3-benzothiazole;4,5-di(propan-2-yl)-2,1-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-2,1,3-benzoxadiazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,2-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole
CID 157502185
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;3-tert-butyl-1,2-benzoxazole;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-2,3-dihydro-1H-indole;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indene;5-tert-butylindolizine;5-tert-butylisoquinoline;4-tert-butylpyridazine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157757841
3,5-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;2,4-dimethyl-1-benzothiophene;2,7-dimethyl-1-benzothiophene;3,5-dimethyl-1-benzothiophene;3,5-dimethyl-1,2-benzoxazole;3,6-dimethylimidazo[1,2-a]pyridine;3,5-dimethyl-2H-indazole;2,4-dimethyl-1H-indole;3,5-dimethyl-1H-indole;1,7-dimethylisoquinoline;4,6-dimethylquinoline;3,5-dimethylthieno[2,3-c]pyridine
CID 157900990
6-tert-butyl-1,2-benzothiazole;6-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,2-benzoxazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-3H-indazole;5-tert-butyl-1H-indole;6-tert-butylquinoxaline
CID 158005789
5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;2,3-dimethylfuran;2,3-dimethylindazole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;2,3-dimethyl-5-phenylthiophene;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2,3-trimethylindole
CID 158322606
CID 158422176
CID 158422176
6,7-di(propan-2-yl)-3a,7a-dihydro-1,2-benzoxazole;bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole
CID 158518432
3-amino-5-methyl-1H-indazol-6-ol;1,7-dimethylisoquinolin-6-amine;6-methyl-1H-benzimidazol-2-amine;5-methyl-1,3-benzothiazol-2-amine;5-methyl-1,2-benzoxazole-3,6-diamine
CID 158743592
bis(4,5-di(propan-2-yl)-1H-benzimidazole);4,5-di(propan-2-yl)-2,1,3-benzothiadiazole;4,5-di(propan-2-yl)-1,2-benzothiazole;4,5-di(propan-2-yl)-1,3-benzothiazole;4,5-di(propan-2-yl)-2,1-benzothiazole;6,7-di(propan-2-yl)-1,2-benzothiazole;6,7-di(propan-2-yl)-1,3-benzothiazole;6,7-di(propan-2-yl)-2,1-benzothiazole;4,5-di(propan-2-yl)-2H-benzotriazole;4,5-di(propan-2-yl)-2,1,3-benzoxadiazole;4,5-di(propan-2-yl)-1,2-benzoxazole;4,5-di(propan-2-yl)-1,3-benzoxazole;4,5-di(propan-2-yl)-2,1-benzoxazole;6,7-di(propan-2-yl)-1,2-benzoxazole;6,7-di(propan-2-yl)-1,3-benzoxazole;6,7-di(propan-2-yl)-2,1-benzoxazole;4,5-di(propan-2-yl)-1,3-dihydrobenzimidazol-2-one;4,5-di(propan-2-yl)-1H-indazole;6,7-di(propan-2-yl)-1H-indazole;4,5-di(propan-2-yl)-1H-indole;6,7-di(propan-2-yl)-1H-indole
CID 158953621
6-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;5-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;5-methyl-2,3-dihydroisoindol-1-one;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methylimidazo[4,5-c]pyridin-4-amine;6-methyl-3H-imidazo[4,5-c]pyridine;6-methyl-1H-indazol-3-amine;5-methyl-1H-indole;6-methyl-1H-indole;5-methyl-3H-isoindol-1-amine;5-methyl-1H-pyrazolo[4,5-b]pyridine;5-methyl-1H-pyrazolo[5,4-b]pyridine;5-methyl-1H-pyrazolo[5,4-c]pyridine;6-methyl-1H-pyrazolo[4,5-c]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;5-methyl-1H-pyrrolo[2,3-c]pyridine;6-methyl-1H-pyrrolo[3,2-c]pyridine;3-methylthieno[3,2-c]pyridin-4-amine;1H-pyrazolo[4,5-b]pyridine
CID 159111909
5-methyl-1,2-benzothiazol-3-amine;6-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-1,2-benzoxazol-3-amine;2-methylfuro[3,2-c]pyridin-4-amine;3-methylfuro[3,2-c]pyridin-4-amine;3-methyl-1H-imidazo[4,5-c]pyridin-3-ium-4-amine;5-methyl-1H-indazol-3-amine;6-methyl-1H-indazol-3-amine;5-methyl-3H-isoindol-1-amine;6-methyl-3H-isoindol-1-amine;6-methylisoquinolin-1-amine;7-methylisoquinolin-1-amine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylphthalazine-1,4-diamine;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;3-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;6-methylquinazolin-4-amine;7-methylquinazolin-4-amine;2-methylthieno[3,2-c]pyridin-4-amine;3-methylthieno[3,2-c]pyridin-4-amine
CID 159166174

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine?
The IUPAC name of 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine (CID 167675214) is 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine.
What is the SMILES notation for 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine?
The canonical SMILES for 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine is CC(C)c1c(C2CC2)ccc2[nH]ncc12.CC(C)c1cccc2[nH]cnc12.CC(C)c1cccc2c1cc(O)n2C.CC(C)c1cccc2cc(O)n(C)c12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2cnoc12.CC(C)c1cccc2cnsc12.CC(C)c1cccc2ncsc12.CC(C)c1cccc2occc12.CC(C)c1cccc2oncc12.CC(C)c1cccc2sncc12.CC(C)c1nc(N)cc2ccccc12.COc1cc(C(C)C)c2c(cnn2C)c1.COc1cc(C(C)C)c2cn[nH]c2c1.Cc1ccc2c(N)nn(C(C)C)c2c1.Cc1ccc2cn(C)nc2c1C(C)C.
What is the InChIKey of 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine?
The InChIKey is USCDIRYUYHKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H16N2O.C12H16N2.C12H14N2.2C12H15NO.C11H15N3.C11H14N2O.2C11H12O.C10H12N2.2C10H11NO.3C10H11NS/c1-8(2)13-10(9-3-4-9)5-6-12-11(13)7-14-15-12;1-8(2)11-6-10(15-4)5-9-7-13-14(3)12(9)11;1-8(2)11-9(3)5-6-10-7-14(4)13-12(10)11;1-8(2)12-10-6-4-3-5-9(10)7-11(13)14-12;1-8(2)9-5-4-6-11-10(9)7-12(14)13(11)3;1-8(2)10-6-4-5-9-7-11(14)13(3)12(9)10;1-7(2)14-10-6-8(3)4-5-9(10)11(12)13-14;1-7(2)9-4-8(14-3)5-11-10(9)6-12-13-11;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)9-5-3-4-8-6-11-12-10(8)9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)9-5-3-4-8-6-11-12-10(8)9/h5-9H,3-4H2,1-2H3,(H,14,15);5-8H,1-4H3;5-8H,1-4H3;3-8H,1-2H3,(H2,13,14);2*4-8,14H,1-3H3;4-7H,1-3H3,(H2,12,13);4-7H,1-3H3,(H,12,13);2*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);5*3-7H,1-2H3.
What are the key properties of 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine?
5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine has a molecular weight of 2871.99 g/mol, XLogP of 49.39, 19 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-propan-2-yl-1H-indazole;2,6-dimethyl-7-propan-2-ylindazole;5-methoxy-1-methyl-7-propan-2-ylindazole;6-methoxy-4-propan-2-yl-1H-indazole;6-methyl-1-propan-2-ylindazol-3-amine;1-methyl-4-propan-2-ylindol-2-ol;1-methyl-7-propan-2-ylindol-2-ol;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1-benzofuran;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,2-benzothiazole;7-propan-2-yl-1,3-benzothiazole;4-propan-2-yl-1,2-benzoxazole;7-propan-2-yl-1,2-benzoxazole;1-propan-2-ylisoquinolin-3-amine is sourced from PubChem (CID 167675214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).