(5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole

C25H29FN2O — CID 15605166

IUPAC(5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole
SMILESCOC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2CC1C)c1ccccc1C
InChIInChI=1S/C25H29FN2O/c1-17-7-5-6-8-22(17)24(29-4)15-25(3)14-19-16-27-28(23(19)13-18(25)2)21-11-9-20(26)10-12-21/h5-12,16,18,24H,13-15H2,1-4H3/t18?,24?,25-/m1/s1
InChIKeyBCGGXGPIXASKPA-QJDQLVHXSA-N
MW392.52 g/mol
LogP5.84
Rot. Bonds5

About (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole

(5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole (PubChem CID 15605166) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole.

Molecular Properties

Compound Name(5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole
PubChem CID15605166
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name(5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole
SMILESCOC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2CC1C)c1ccccc1C
InChIInChI=1S/C25H29FN2O/c1-17-7-5-6-8-22(17)24(29-4)15-25(3)14-19-16-27-28(23(19)13-18(25)2)21-11-9-20(26)10-12-21/h5-12,16,18,24H,13-15H2,1-4H3/t18?,24?,25-/m1/s1
InChIKeyBCGGXGPIXASKPA-QJDQLVHXSA-N
XLogP5.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole?
The IUPAC name of (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole (CID 15605166) is (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole.
What is the SMILES notation for (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole?
The canonical SMILES for (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole is COC(C[C@@]1(C)Cc2cnn(-c3ccc(F)cc3)c2CC1C)c1ccccc1C.
What is the InChIKey of (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole?
The InChIKey is BCGGXGPIXASKPA-QJDQLVHXSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-17-7-5-6-8-22(17)24(29-4)15-25(3)14-19-16-27-28(23(19)13-18(25)2)21-11-9-20(26)10-12-21/h5-12,16,18,24H,13-15H2,1-4H3/t18?,24?,25-/m1/s1.
What are the key properties of (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole?
(5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole has a molecular weight of 392.52 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-fluorophenyl)-5-[2-methoxy-2-(2-methylphenyl)ethyl]-5,6-dimethyl-6,7-dihydro-4H-indazole is sourced from PubChem (CID 15605166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).