3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide

C105H149F5N12O6S — CID 159018113

IUPAC3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide
SMILESC.C.C.C.C.C.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)c1c[nH]c2ccccc12.CC(C)n1nc(C(C)(F)F)c2c1CCCC2.CC1CCCc2c(C(C)(F)F)nn(C(C)C)c21.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1
InChIInChI=1S/C19H21NO2.C13H20F2N2.C12H18F2N2.C12H16N2O2S.C11H12FN.C11H13NO.C11H13N.C10H12N2O.6CH4/c1-13(2)16-11-20-17-10-18(21-3)19(9-15(16)17)22-12-14-7-5-4-6-8-14;1-8(2)17-11-9(3)6-5-7-10(11)12(16-17)13(4,14)15;1-8(2)16-10-7-5-4-6-9(10)11(15-16)12(3,13)14;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)10-6-12-11-4-3-8(13)5-9(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)7-5-11-8-3-4-9(13)12-10(7)8;;;;;;/h4-11,13,20H,12H2,1-3H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3;4-8,13-14H,1-3H3;3-7,13H,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6,11H,1-2H3,(H,12,13);6*1H4
InChIKeyJTIOGJWIPOGWCB-UHFFFAOYSA-N
MW1802.48 g/mol
LogP30.53
Rot. Bonds16

About 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide

3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide (PubChem CID 159018113) has the molecular formula C105H149F5N12O6S and a molecular weight of 1802.48 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide
PubChem CID159018113
Molecular FormulaC105H149F5N12O6S
Molecular Weight1802.48 g/mol
Exact Mass1801.14
IUPAC Name3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide
SMILESC.C.C.C.C.C.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)c1c[nH]c2ccccc12.CC(C)n1nc(C(C)(F)F)c2c1CCCC2.CC1CCCc2c(C(C)(F)F)nn(C(C)C)c21.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1
InChIInChI=1S/C19H21NO2.C13H20F2N2.C12H18F2N2.C12H16N2O2S.C11H12FN.C11H13NO.C11H13N.C10H12N2O.6CH4/c1-13(2)16-11-20-17-10-18(21-3)19(9-15(16)17)22-12-14-7-5-4-6-8-14;1-8(2)17-11-9(3)6-5-7-10(11)12(16-17)13(4,14)15;1-8(2)16-10-7-5-4-6-9(10)11(15-16)12(3,13)14;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)10-6-12-11-4-3-8(13)5-9(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)7-5-11-8-3-4-9(13)12-10(7)8;;;;;;/h4-11,13,20H,12H2,1-3H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3;4-8,13-14H,1-3H3;3-7,13H,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6,11H,1-2H3,(H,12,13);6*1H4
InChIKeyJTIOGJWIPOGWCB-UHFFFAOYSA-N
XLogP30.53
TPSA248.10 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001802.48
LogP ≤ 530.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Analyze 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide?
The IUPAC name of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide (CID 159018113) is 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide is C.C.C.C.C.C.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)c1c[nH]c2ccccc12.CC(C)n1nc(C(C)(F)F)c2c1CCCC2.CC1CCCc2c(C(C)(F)F)nn(C(C)C)c21.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1.
What is the InChIKey of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide?
The InChIKey is JTIOGJWIPOGWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.C13H20F2N2.C12H18F2N2.C12H16N2O2S.C11H12FN.C11H13NO.C11H13N.C10H12N2O.6CH4/c1-13(2)16-11-20-17-10-18(21-3)19(9-15(16)17)22-12-14-7-5-4-6-8-14;1-8(2)17-11-9(3)6-5-7-10(11)12(16-17)13(4,14)15;1-8(2)16-10-7-5-4-6-9(10)11(15-16)12(3,13)14;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-7(2)10-6-12-11-4-3-8(13)5-9(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-6(2)7-5-11-8-3-4-9(13)12-10(7)8;;;;;;/h4-11,13,20H,12H2,1-3H3;8-9H,5-7H2,1-4H3;8H,4-7H2,1-3H3;4-8,13-14H,1-3H3;3-7,13H,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6,11H,1-2H3,(H,12,13);6*1H4.
What are the key properties of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide?
3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide has a molecular weight of 1802.48 g/mol, XLogP of 30.53, 16 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;3-(1,1-difluoroethyl)-1-propan-2-yl-4,5,6,7-tetrahydroindazole;5-fluoro-3-propan-2-yl-1H-indole;methane;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide is sourced from PubChem (CID 159018113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).