4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

C173H206ClF2N23O2 — CID 161404051

IUPAC4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C1C(=O)Nc2ccccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(Cl)c12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnn2ccccc12.CC(C)c1nn(C)c2ccccc12.CC(C)c1nnc2ccccn12.CC(C)c1noc2ccccc12.CC(C)n1cnc2ccccc21.Cc1[nH]c2ccccc2c1C(C)C.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1cccc2c(C(C)C)c[nH]c12
InChIInChI=1S/4C12H15N.C11H12ClN.2C11H12FN.C11H14N2.C11H13NO.C11H13N.4C10H12N2.C10H11NO.C9H11N3/c1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)10-8-5-3-4-6-9(8)12-11(10)13;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)9-11-10-8-5-3-4-6-12(8)9/h2*4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;3*3-7,13H,1-2H3;4-8H,1-3H3;3-7,10H,1-2H3,(H,12,13);3-8,12H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
InChIKeyVUPKEMXMIOISEV-UHFFFAOYSA-N
MW2713.16 g/mol
LogP48.30
Rot. Bonds16

About 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine

4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 161404051) has the molecular formula C173H206ClF2N23O2 and a molecular weight of 2713.16 g/mol. Its IUPAC name is 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID161404051
Molecular FormulaC173H206ClF2N23O2
Molecular Weight2713.16 g/mol
Exact Mass2710.64
IUPAC Name4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)C1C(=O)Nc2ccccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(Cl)c12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnn2ccccc12.CC(C)c1nn(C)c2ccccc12.CC(C)c1nnc2ccccn12.CC(C)c1noc2ccccc12.CC(C)n1cnc2ccccc21.Cc1[nH]c2ccccc2c1C(C)C.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1cccc2c(C(C)C)c[nH]c12
InChIInChI=1S/4C12H15N.C11H12ClN.2C11H12FN.C11H14N2.C11H13NO.C11H13N.4C10H12N2.C10H11NO.C9H11N3/c1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)10-8-5-3-4-6-9(8)12-11(10)13;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)9-11-10-8-5-3-4-6-12(8)9/h2*4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;3*3-7,13H,1-2H3;4-8H,1-3H3;3-7,10H,1-2H3,(H,12,13);3-8,12H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3
InChIKeyVUPKEMXMIOISEV-UHFFFAOYSA-N
XLogP48.30
TPSA299.70 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002713.16
LogP ≤ 548.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(3-methyl-2H-indazol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(7-methyl-2H-indazol-3-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]butan-2-yl]prop-2-enamide;(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-N-(7-methyl-1,2-benzoxazol-3-yl)-3-phenylpropanamide
CID 157363492
7-[2-(2H-benzotriazol-5-yl)ethynyl]-6-methyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;6-methyl-3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159047536
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159630690
3-tert-butyl-7-chloro-2H-indazole;3-tert-butyl-5,6-difluoro-2H-indazole;3-tert-butyl-7-fluoro-2H-indazole;3-tert-butyl-2H-indazole-6-carbonitrile;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;1-ethyl-6-fluoro-3-propan-2-ylindazole;5-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1,3-di(propan-2-yl)indazole;6-fluoro-1-(oxetan-3-yl)-3-propan-2-ylindazole;6-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole-5-carbonitrile;3-propan-2-yl-2H-pyrazolo[4,3-c]pyridine;3-propan-2-yl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 160471487
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-phenyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-[2-(1H-indazol-5-yl)ethynyl]-6-methyl-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[(3-phenylphenyl)methyl]-1,2-benzoxazole
CID 161401904
5-fluoro-N-[[2-fluoro-4-[2-[1-[[7-[3-fluoro-4-[[(5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-benzoxazol-3-amine
CID 171803391
US20240109900, Example 275
CID 171410063
4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-2H-benzotriazole;7-propan-2-yl-1,2-benzoxazol-3-amine;4-propan-2-yl-1,3-dihydrobenzimidazol-2-one;4-propan-2-yl-1,3-dihydroindol-2-one;7-propan-2-yl-1,3-dihydroindol-2-one;1-(4-propan-2-yl-2,3-dihydroindol-1-yl)ethanone;7-propan-2-yl-3H-imidazo[4,5-c]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazolo[3,4-b]pyridine;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;4-propan-2-yl-1H-pyrazolo[3,4-d]pyrimidine;4-propan-2-yl-1H-pyrrolo[2,3-c]pyridine
CID 157181237
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-1H-indazol-3-amine;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-isoindol-1-amine;5-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(3-chlorophenyl)-3-pyridinyl]-1,2-benzoxazol-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157234558
3-benzyl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-benzyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(1-methylindol-5-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(2-phenylethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 157332172
2-chloro-6-propan-2-yl-1H-benzimidazole;6-cyclopropyl-3-fluoro-2-propan-2-ylpyridine;5-fluoro-6-propan-2-yl-1H-benzimidazole;6-fluoro-5-propan-2-yl-1,2-benzoxazol-3-amine;6-fluoro-5-propan-2-yl-1H-indazol-3-amine;6-fluoro-5-propan-2-ylpyridine-3-carboxamide;bis(5-fluoro-4-propan-2-yl-1H-pyridin-2-one);5-methyl-4-propan-2-yl-1H-pyridin-2-one;3-propan-2-ylbenzamide;4-propan-2-ylbenzamide;5-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1,3-dihydrobenzimidazol-2-one;(4-propan-2-ylphenyl)methanamine;4-propan-2-yl-1H-pyridin-2-one;3-propan-2-yl-1H-quinolin-2-one;4-propan-2-yl-1H-quinolin-2-one;3-propan-2-yl-1H-quinoxalin-2-one
CID 157358332
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;5-chloro-2-methyl-1H-indole;3-chloro-2-methyl-1,7-naphthyridin-8-amine;6-fluoro-7-methylisoquinolin-1-amine;methane;6-methyl-1H-2,3-benzoxazin-4-amine;7-methyl-1H-2,3-benzoxazin-4-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydroisoindol-1-one;6-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;2-methyl-1,8-naphthyridine;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;6-methylquinazolin-4-amine;7-methylquinoline;7-methyl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 157677263

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine (CID 161404051) is 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is CC(C)C1C(=O)Nc2ccccc21.CC(C)c1[nH]nc2ccccc12.CC(C)c1c[nH]c2c(F)cccc12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2cccc(Cl)c12.CC(C)c1c[nH]c2ccccc12.CC(C)c1cn(C)c2ccccc12.CC(C)c1cnc2ccccn12.CC(C)c1cnn2ccccc12.CC(C)c1nn(C)c2ccccc12.CC(C)c1nnc2ccccn12.CC(C)c1noc2ccccc12.CC(C)n1cnc2ccccc21.Cc1[nH]c2ccccc2c1C(C)C.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1cccc2c(C(C)C)c[nH]c12.
What is the InChIKey of 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VUPKEMXMIOISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H15N.C11H12ClN.2C11H12FN.C11H14N2.C11H13NO.C11H13N.4C10H12N2.C10H11NO.C9H11N3/c1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)11-7-13-12-9(3)5-4-6-10(11)12;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)8-6-13-10-5-3-4-9(12)11(8)10;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)9-6-13-11-8(9)4-3-5-10(11)12;1-8(2)11-9-6-4-5-7-10(9)13(3)12-11;1-7(2)10-8-5-3-4-6-9(8)12-11(10)13;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-7-11-10-5-3-4-6-12(9)10;1-8(2)9-7-11-12-6-4-3-5-10(9)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)10-8-5-3-4-6-9(8)12-11-10;1-7(2)9-11-10-8-5-3-4-6-12(8)9/h2*4-8,13H,1-3H3;4-9H,1-3H3;4-8,13H,1-3H3;3*3-7,13H,1-2H3;4-8H,1-3H3;3-7,10H,1-2H3,(H,12,13);3-8,12H,1-2H3;3*3-8H,1-2H3;3-7H,1-2H3,(H,11,12);2*3-7H,1-2H3.
What are the key properties of 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine?
4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 2713.16 g/mol, XLogP of 48.30, 16 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-propan-2-yl-1H-indole;5-fluoro-3-propan-2-yl-1H-indole;7-fluoro-3-propan-2-yl-1H-indole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;2-methyl-3-propan-2-yl-1H-indole;5-methyl-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole;1-propan-2-ylbenzimidazole;3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-ylimidazo[1,2-a]pyridine;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 161404051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).