5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

C89H106F4N6O6S — CID 160722767

IUPAC5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(C)C1=CCc2ccc(=O)[nH]c21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccc(O)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1
InChIInChI=1S/C19H21NO2.C12H13F.C12H16N2O2S.C12H14O.C12H14.C11H15F3N2.C11H13NO/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)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9/h4-11,13,20H,12H2,1-3H3;3,5-8H,4H2,1-2H3;4-8,13-14H,1-3H3;3,5-8,13H,4H2,1-2H3;3-6,8-9H,7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,3H2,1-2H3,(H,12,13)
InChIKeyRTHXFRPQHNRGJD-UHFFFAOYSA-N
MW1463.92 g/mol
LogP22.56
Rot. Bonds13

About 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole

5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (PubChem CID 160722767) has the molecular formula C89H106F4N6O6S and a molecular weight of 1463.92 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID160722767
Molecular FormulaC89H106F4N6O6S
Molecular Weight1463.92 g/mol
Exact Mass1462.78
IUPAC Name5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
SMILESCC(C)C1=CCc2ccc(=O)[nH]c21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccc(O)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1
InChIInChI=1S/C19H21NO2.C12H13F.C12H16N2O2S.C12H14O.C12H14.C11H15F3N2.C11H13NO/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)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9/h4-11,13,20H,12H2,1-3H3;3,5-8H,4H2,1-2H3;4-8,13-14H,1-3H3;3,5-8,13H,4H2,1-2H3;3-6,8-9H,7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,3H2,1-2H3,(H,12,13)
InChIKeyRTHXFRPQHNRGJD-UHFFFAOYSA-N
XLogP22.56
TPSA167.12 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001463.92
LogP ≤ 522.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;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-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 160722767) is 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is CC(C)C1=CCc2ccc(=O)[nH]c21.CC(C)C1=CCc2ccc(F)cc21.CC(C)C1=CCc2ccc(O)cc21.CC(C)C1=CCc2ccccc21.CC(C)c1c[nH]c2ccc(NS(C)(=O)=O)cc12.CC(C)n1nc(C(F)(F)F)c2c1CCCC2.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1.
What is the InChIKey of 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is RTHXFRPQHNRGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.C12H13F.C12H16N2O2S.C12H14O.C12H14.C11H15F3N2.C11H13NO/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)11-6-4-9-3-5-10(13)7-12(9)11;1-8(2)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-8(2)11-6-4-9-3-5-10(13)7-12(9)11;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-7(2)9-5-3-8-4-6-10(13)12-11(8)9/h4-11,13,20H,12H2,1-3H3;3,5-8H,4H2,1-2H3;4-8,13-14H,1-3H3;3,5-8,13H,4H2,1-2H3;3-6,8-9H,7H2,1-2H3;7H,3-6H2,1-2H3;4-7H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 1463.92 g/mol, XLogP of 22.56, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-1H-indene;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;7-propan-2-yl-1,5-dihydrocyclopenta[b]pyridin-2-one;3-propan-2-yl-1H-indene;3-propan-2-yl-1H-inden-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 160722767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).