5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole

C93H112ClF9N10O4 — CID 160987848

IUPAC5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole
SMILESCC(C)c1ccc(F)cc1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.CC(C)n1ncc2ccc(O)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.Cc1cc2c(cc1O)c(C(C)C)cn2C
InChIInChI=1S/C14H23N3O2.C13H14F3N.C13H17NO.C12H12F3N.C11H12ClN.C11H11F2N.C10H12N2O.C9H11F/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-8(2)11-7-14(4)12-5-9(3)13(15)6-10(11)12;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;1-7(2)8-3-5-9(10)6-4-8/h6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;5-8,15H,1-4H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3
InChIKeyTUFGGTMVBBLJGY-UHFFFAOYSA-N
MW1640.42 g/mol
LogP26.58
Rot. Bonds11

About 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole

5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole (PubChem CID 160987848) has the molecular formula C93H112ClF9N10O4 and a molecular weight of 1640.42 g/mol. Its IUPAC name is 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole.

Molecular Properties

Compound Name5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole
PubChem CID160987848
Molecular FormulaC93H112ClF9N10O4
Molecular Weight1640.42 g/mol
Exact Mass1638.84
IUPAC Name5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole
SMILESCC(C)c1ccc(F)cc1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.CC(C)n1ncc2ccc(O)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.Cc1cc2c(cc1O)c(C(C)C)cn2C
InChIInChI=1S/C14H23N3O2.C13H14F3N.C13H17NO.C12H12F3N.C11H12ClN.C11H11F2N.C10H12N2O.C9H11F/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-8(2)11-7-14(4)12-5-9(3)13(15)6-10(11)12;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;1-7(2)8-3-5-9(10)6-4-8/h6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;5-8,15H,1-4H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3
InChIKeyTUFGGTMVBBLJGY-UHFFFAOYSA-N
XLogP26.58
TPSA130.29 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001640.42
LogP ≤ 526.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole?
The IUPAC name of 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole (CID 160987848) is 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole.
What is the SMILES notation for 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole?
The canonical SMILES for 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole is CC(C)c1ccc(F)cc1.CC(C)c1cn(C)c2ccc(C(F)(F)F)cc12.CC(C)n1ccc2cc(Cl)ccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.CC(C)n1ncc2ccc(O)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.Cc1cc2c(cc1O)c(C(C)C)cn2C.
What is the InChIKey of 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole?
The InChIKey is TUFGGTMVBBLJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C13H14F3N.C13H17NO.C12H12F3N.C11H12ClN.C11H11F2N.C10H12N2O.C9H11F/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-8(2)11-7-17(3)12-5-4-9(6-10(11)12)13(14,15)16;1-8(2)11-7-14(4)12-5-9(3)13(15)6-10(11)12;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;1-7(2)8-3-5-9(10)6-4-8/h6,9-11H,7-8H2,1-5H3;4-8H,1-3H3;5-8,15H,1-4H3;3-8H,1-2H3;3-8H,1-2H3;3-7H,1-2H3;3-7,13H,1-2H3;3-7H,1-2H3.
What are the key properties of 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole?
5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole has a molecular weight of 1640.42 g/mol, XLogP of 26.58, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole is sourced from PubChem (CID 160987848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).