5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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

C101H137FN14O6S — CID 162027455

IUPAC5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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
SMILESC.C=C1Nc2ccccc2C1C(C)C.CC(C)C1=CNC2C=CC(=O)N(C)C12.CC(C)c1c[nH]c2ccc(=O)[nH]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.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1nn(C(C)C)c2c1CCCC2
InChIInChI=1S/C12H16N2O2S.2C12H15N.C11H12FN.C11H16N2O.C11H18N2.C11H13NO.C10H12N2O.C10H16N2O.CH4/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)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;1-8(2)13-11-7-5-4-6-10(11)9(3)12-13;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;3-7,13H,1-2H3;4-7,9,11-12H,1-3H3;8H,4-7H2,1-3H3;3-7,12-13H,1-2H3;3-6,11H,1-2H3,(H,12,13);7H,3-6H2,1-2H3,(H,11,13);1H4
InChIKeyYVOMRRBWBZQOPB-UHFFFAOYSA-N
MW1694.36 g/mol
LogP23.85
Rot. Bonds11

About 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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

5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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 (PubChem CID 162027455) has the molecular formula C101H137FN14O6S and a molecular weight of 1694.36 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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
PubChem CID162027455
Molecular FormulaC101H137FN14O6S
Molecular Weight1694.36 g/mol
Exact Mass1693.06
IUPAC Name5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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
SMILESC.C=C1Nc2ccccc2C1C(C)C.CC(C)C1=CNC2C=CC(=O)N(C)C12.CC(C)c1c[nH]c2ccc(=O)[nH]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.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1nn(C(C)C)c2c1CCCC2
InChIInChI=1S/C12H16N2O2S.2C12H15N.C11H12FN.C11H16N2O.C11H18N2.C11H13NO.C10H12N2O.C10H16N2O.CH4/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)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;1-8(2)13-11-7-5-4-6-10(11)9(3)12-13;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;3-7,13H,1-2H3;4-7,9,11-12H,1-3H3;8H,4-7H2,1-3H3;3-7,12-13H,1-2H3;3-6,11H,1-2H3,(H,12,13);7H,3-6H2,1-2H3,(H,11,13);1H4
InChIKeyYVOMRRBWBZQOPB-UHFFFAOYSA-N
XLogP23.85
TPSA278.19 Ų
H-Bond Donors11
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001694.36
LogP ≤ 523.85
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1011

Analyze 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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 with MolForge

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Related Compounds

CID 160537275
CID 160537275
CID 159087919
CID 159087919
CID 161262915
CID 161262915

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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?
The IUPAC name of 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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 (CID 162027455) is 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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?
The canonical SMILES for 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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 is C.C=C1Nc2ccccc2C1C(C)C.CC(C)C1=CNC2C=CC(=O)N(C)C12.CC(C)c1c[nH]c2ccc(=O)[nH]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.Cc1ccc2[nH]cc(C(C)C)c2c1.Cc1nn(C(C)C)c2c1CCCC2.
What is the InChIKey of 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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?
The InChIKey is YVOMRRBWBZQOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S.2C12H15N.C11H12FN.C11H16N2O.C11H18N2.C11H13NO.C10H12N2O.C10H16N2O.CH4/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)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;1-8(2)13-11-7-5-4-6-10(11)9(3)12-13;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;3-7,13H,1-2H3;4-7,9,11-12H,1-3H3;8H,4-7H2,1-3H3;3-7,12-13H,1-2H3;3-6,11H,1-2H3,(H,12,13);7H,3-6H2,1-2H3,(H,11,13);1H4.
What are the key properties of 5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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?
5-fluoro-3-propan-2-yl-1H-indole;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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 has a molecular weight of 1694.36 g/mol, XLogP of 23.85, 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;methane;2-methylidene-3-propan-2-yl-1,3-dihydroindole;4-methyl-3-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridin-5-one;5-methyl-3-propan-2-yl-1H-indole;3-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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 is sourced from PubChem (CID 162027455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).