6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one

C19H19N3O3 — CID 16584384

IUPAC6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
SMILESCNc1nn(-c2ccc(OC)cc2)c2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C19H19N3O3/c1-20-19-18-15(10-12(11-16(18)23)17-4-3-9-25-17)22(21-19)13-5-7-14(24-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyBOWQVOPUGLCXKH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.43
Rot. Bonds4

About 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one

6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one (PubChem CID 16584384) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
PubChem CID16584384
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
SMILESCNc1nn(-c2ccc(OC)cc2)c2c1C(=O)CC(c1ccco1)C2
InChIInChI=1S/C19H19N3O3/c1-20-19-18-15(10-12(11-16(18)23)17-4-3-9-25-17)22(21-19)13-5-7-14(24-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyBOWQVOPUGLCXKH-UHFFFAOYSA-N
XLogP3.43
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 41387118
1-(4-chlorophenyl)-6-(furan-2-yl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584382
6-(furan-2-yl)-3-(3-methoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 16584398
(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447099
1-(4-fluorophenyl)-6-(furan-2-yl)-3-(prop-2-enylamino)-6,7-dihydro-5H-indazol-4-one
CID 17168566
3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 43903618
3-(4-methoxyanilino)-1-(4-methoxyphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 17035497
1-(4,6-dimethylpyrimidin-2-yl)-3-(4-fluoroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903741
1-(1,3-benzothiazol-2-yl)-3-(4-ethoxyanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903818
(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 675383
3-(3-chloroanilino)-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 43903627
1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584395

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one (CID 16584384) is 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one is CNc1nn(-c2ccc(OC)cc2)c2c1C(=O)CC(c1ccco1)C2.
What is the InChIKey of 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is BOWQVOPUGLCXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-20-19-18-15(10-12(11-16(18)23)17-4-3-9-25-17)22(21-19)13-5-7-14(24-2)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 16584384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).