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

C87H112F5N11O6S — CID 157482154

IUPAC3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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)c1c[nH]c2c1NC(O)C=C2.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(F)(F)F)c2c1CCCC2.CC1CCCc2c(C(C)(F)F)nn(C(C)C)c21.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1
InChIInChI=1S/C19H21NO2.C13H20F2N2.C12H16N2O2S.C11H15F3N2.C11H13NO.C11H13N.C10H14N2O/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)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;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;4-8,13-14H,1-3H3;7H,3-6H2,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6,9,11-13H,1-2H3
InChIKeyBWHAKMXVYQPYTM-UHFFFAOYSA-N
MW1534.98 g/mol
LogP23.10
Rot. Bonds14

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

3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 157482154) has the molecular formula C87H112F5N11O6S and a molecular weight of 1534.98 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 Name3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole
PubChem CID157482154
Molecular FormulaC87H112F5N11O6S
Molecular Weight1534.98 g/mol
Exact Mass1533.84
IUPAC Name3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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)c1c[nH]c2c1NC(O)C=C2.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(F)(F)F)c2c1CCCC2.CC1CCCc2c(C(C)(F)F)nn(C(C)C)c21.COc1cc2[nH]cc(C(C)C)c2cc1OCc1ccccc1
InChIInChI=1S/C19H21NO2.C13H20F2N2.C12H16N2O2S.C11H15F3N2.C11H13NO.C11H13N.C10H14N2O/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)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;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;4-8,13-14H,1-3H3;7H,3-6H2,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6,9,11-13H,1-2H3
InChIKeyBWHAKMXVYQPYTM-UHFFFAOYSA-N
XLogP23.10
TPSA231.71 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001534.98
LogP ≤ 523.10
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole (CID 157482154) is 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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)c1c[nH]c2c1NC(O)C=C2.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(F)(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;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 BWHAKMXVYQPYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.C13H20F2N2.C12H16N2O2S.C11H15F3N2.C11H13NO.C11H13N.C10H14N2O/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)11-7-13-12-5-4-9(6-10(11)12)14-17(3,15)16;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;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;4-8,13-14H,1-3H3;7H,3-6H2,1-2H3;3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6,9,11-13H,1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-5-ol;N-(3-propan-2-yl-1H-indol-5-yl)methanesulfonamide;1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazole?
3-(1,1-difluoroethyl)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 1534.98 g/mol, XLogP of 23.10, 14 rotatable bonds, 9 hydrogen bond donors, and 11 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;6-methoxy-5-phenylmethoxy-3-propan-2-yl-1H-indole;3-propan-2-yl-4,5-dihydro-1H-pyrrolo[3,2-b]pyridin-5-ol;3-propan-2-yl-1H-indole;3-propan-2-yl-1H-indol-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 157482154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).