(5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole

C24H23FN2O — CID 15605298

IUPAC(5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC1OCc2ccccc21
InChIInChI=1S/C24H23FN2O/c1-16-11-22-18(14-26-27(22)20-9-7-19(25)8-10-20)12-24(16,2)13-23-21-6-4-3-5-17(21)15-28-23/h3-11,14,23H,12-13,15H2,1-2H3/t23?,24-/m1/s1
InChIKeyGRXHVRPSLDWQOC-XMMISQBUSA-N
MW374.46 g/mol
LogP5.64
Rot. Bonds3

About (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole

(5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole (PubChem CID 15605298) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole.

Molecular Properties

Compound Name(5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
PubChem CID15605298
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name(5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole
SMILESCC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC1OCc2ccccc21
InChIInChI=1S/C24H23FN2O/c1-16-11-22-18(14-26-27(22)20-9-7-19(25)8-10-20)12-24(16,2)13-23-21-6-4-3-5-17(21)15-28-23/h3-11,14,23H,12-13,15H2,1-2H3/t23?,24-/m1/s1
InChIKeyGRXHVRPSLDWQOC-XMMISQBUSA-N
XLogP5.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2,2-dimethylpropan-1-ol
CID 11474124
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-fluorophenyl)ethan-1-ol
CID 9802231
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]pent-4-en-1-ol
CID 9998996
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10000582
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-methoxyphenyl)ethan-1-ol
CID 10002931
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](2-fluorophenyl)methanol
CID 10046928
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-methylphenyl)ethan-1-ol
CID 10319739
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]but-3-en-1-ol
CID 10428095
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10453115
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluorophenyl)methanol
CID 10454007
(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl](4-fluoro-3-methylphenyl)methanol
CID 10454813
(1S)-1-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H,8H-cyclohexa[f]indazol-5-yl]-2-(4-tert-butylphenyl)ethan-1-ol
CID 10456872

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole?
The IUPAC name of (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole (CID 15605298) is (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole.
What is the SMILES notation for (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole?
The canonical SMILES for (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole is CC1=Cc2c(cnn2-c2ccc(F)cc2)C[C@]1(C)CC1OCc2ccccc21.
What is the InChIKey of (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole?
The InChIKey is GRXHVRPSLDWQOC-XMMISQBUSA-N. The full InChI is InChI=1S/C24H23FN2O/c1-16-11-22-18(14-26-27(22)20-9-7-19(25)8-10-20)12-24(16,2)13-23-21-6-4-3-5-17(21)15-28-23/h3-11,14,23H,12-13,15H2,1-2H3/t23?,24-/m1/s1.
What are the key properties of (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole?
(5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole has a molecular weight of 374.46 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1,3-dihydro-2-benzofuran-1-ylmethyl)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazole is sourced from PubChem (CID 15605298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).