5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C100H128F4N14O6S — CID 160537275

IUPAC5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESC=C1Nc2ccccc2C1C(C)C.CC(C)c1c[nH]c2ccc(=O)[nH]c12.CC(C)c1c[nH]c2ccc(=O)n(C)c12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)c1c[nH]c2ccc(O)cc12.CC(C)n1[nH]c(=O)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.Cc1ccc2[nH]cc(C(C)C)c2c1
InChIInChI=1S/C12H16N2O2S.2C12H15N.C11H15F3N2.C11H12FN.C11H14N2O.C11H13NO.C10H12N2O.C10H16N2O/c1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)8-6-12-9-4-5-10(14)13(3)11(8)9;1-7(2)10-6-12-11-4-3-8(13)5-9(10)11;1-6(2)7-5-11-8-3-4-9(13)12-10(7)8;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12/h4-8,13-14H,1-3H3;4-8,13H,1-3H3;4-8,12-13H,3H2,1-2H3;7H,3-6H2,1-2H3;3-7,13H,1-2H3;4-7,12H,1-3H3;3-7,12-13H,1-2H3;3-6,11H,1-2H3,(H,12,13);7H,3-6H2,1-2H3,(H,11,13)
InChIKeyQWHZACVKCVCIQE-UHFFFAOYSA-N
MW1730.27 g/mol
LogP25.02
Rot. Bonds11

About 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 160537275) has the molecular formula C100H128F4N14O6S and a molecular weight of 1730.27 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID160537275
Molecular FormulaC100H128F4N14O6S
Molecular Weight1730.27 g/mol
Exact Mass1728.98
IUPAC Name5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESC=C1Nc2ccccc2C1C(C)C.CC(C)c1c[nH]c2ccc(=O)[nH]c12.CC(C)c1c[nH]c2ccc(=O)n(C)c12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)c1c[nH]c2ccc(O)cc12.CC(C)n1[nH]c(=O)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.Cc1ccc2[nH]cc(C(C)C)c2c1
InChIInChI=1S/C12H16N2O2S.2C12H15N.C11H15F3N2.C11H12FN.C11H14N2O.C11H13NO.C10H12N2O.C10H16N2O/c1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)8-6-12-9-4-5-10(14)13(3)11(8)9;1-7(2)10-6-12-11-4-3-8(13)5-9(10)11;1-6(2)7-5-11-8-3-4-9(13)12-10(7)8;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12/h4-8,13-14H,1-3H3;4-8,13H,1-3H3;4-8,12-13H,3H2,1-2H3;7H,3-6H2,1-2H3;3-7,13H,1-2H3;4-7,12H,1-3H3;3-7,12-13H,1-2H3;3-6,11H,1-2H3,(H,12,13);7H,3-6H2,1-2H3,(H,11,13)
InChIKeyQWHZACVKCVCIQE-UHFFFAOYSA-N
XLogP25.02
TPSA283.64 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001730.27
LogP ≤ 525.02
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 160537275) is 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is C=C1Nc2ccccc2C1C(C)C.CC(C)c1c[nH]c2ccc(=O)[nH]c12.CC(C)c1c[nH]c2ccc(=O)n(C)c12.CC(C)c1c[nH]c2ccc(F)cc12.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)c1c[nH]c2ccc(O)cc12.CC(C)n1[nH]c(=O)c2c1CCCC2.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.Cc1ccc2[nH]cc(C(C)C)c2c1.
What is the InChIKey of 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is QWHZACVKCVCIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S.2C12H15N.C11H15F3N2.C11H12FN.C11H14N2O.C11H13NO.C10H12N2O.C10H16N2O/c1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)12-9(3)13-11-7-5-4-6-10(11)12;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)8-6-12-9-4-5-10(14)13(3)11(8)9;1-7(2)10-6-12-11-4-3-8(13)5-9(10)11;1-6(2)7-5-11-8-3-4-9(13)12-10(7)8;1-7(2)12-9-6-4-3-5-8(9)10(13)11-12/h4-8,13-14H,1-3H3;4-8,13H,1-3H3;4-8,12-13H,3H2,1-2H3;7H,3-6H2,1-2H3;3-7,13H,1-2H3;4-7,12H,1-3H3;3-7,12-13H,1-2H3;3-6,11H,1-2H3,(H,12,13);7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 1730.27 g/mol, XLogP of 25.02, 11 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-1H-indole;2-methylidene-3-propan-2-yl-1,3-dihydroindole;5-methyl-3-propan-2-yl-1H-indole;4-methyl-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-4,5,6,7-tetrahydro-2H-indazol-3-one;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 160537275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).