(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one

C18H16N2O2 — CID 7447099

IUPAC(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccco1)C2
InChIInChI=1S/C18H16N2O2/c1-12-18-15(20(19-12)14-6-3-2-4-7-14)10-13(11-16(18)21)17-8-5-9-22-17/h2-9,13H,10-11H2,1H3/t13-/m0/s1
InChIKeyGZCLAYWRQNNOMJ-ZDUSSCGKSA-N
MW292.34 g/mol
LogP3.69
Rot. Bonds2

About (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one

(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 7447099) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID7447099
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccco1)C2
InChIInChI=1S/C18H16N2O2/c1-12-18-15(20(19-12)14-6-3-2-4-7-14)10-13(11-16(18)21)17-8-5-9-22-17/h2-9,13H,10-11H2,1H3/t13-/m0/s1
InChIKeyGZCLAYWRQNNOMJ-ZDUSSCGKSA-N
XLogP3.69
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 675383
1-[3,5-bis(trifluoromethyl)phenyl]-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 23246851
(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 40900714
6-(furan-2-yl)-3-(3-methoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 16584398
1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584382
(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 41387118
6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584384
1-(4-chlorophenyl)-3-methyl-6-phenyl-6,7-dihydro-5H-indazol-4-one
CID 17228188
7-(furan-2-yl)-4-methyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 2990960
3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 43903618
1-(4-fluorophenyl)-6-(furan-2-yl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one
CID 17168566
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluoroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903741

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one (CID 7447099) is (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one is Cc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccco1)C2.
What is the InChIKey of (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is GZCLAYWRQNNOMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-18-15(20(19-12)14-6-3-2-4-7-14)10-13(11-16(18)21)17-8-5-9-22-17/h2-9,13H,10-11H2,1H3/t13-/m0/s1.
What are the key properties of (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one?
(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 292.34 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 7447099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).