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

C21H17N5O2 — CID 43903618

IUPAC3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CC(c2ccco2)Cc2c1c(Nc1ccccc1)nn2-c1ncccn1
InChIInChI=1S/C21H17N5O2/c27-17-13-14(18-8-4-11-28-18)12-16-19(17)20(24-15-6-2-1-3-7-15)25-26(16)21-22-9-5-10-23-21/h1-11,14H,12-13H2,(H,24,25)
InChIKeyZWTHFXNDPPPJPA-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.91
Rot. Bonds4

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

3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 43903618) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID43903618
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CC(c2ccco2)Cc2c1c(Nc1ccccc1)nn2-c1ncccn1
InChIInChI=1S/C21H17N5O2/c27-17-13-14(18-8-4-11-28-18)12-16-19(17)20(24-15-6-2-1-3-7-15)25-26(16)21-22-9-5-10-23-21/h1-11,14H,12-13H2,(H,24,25)
InChIKeyZWTHFXNDPPPJPA-UHFFFAOYSA-N
XLogP3.91
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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)-3-(4-fluoroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903741
6-(furan-2-yl)-3-(3-methoxyanilino)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 16584398
1-(1H-benzimidazol-2-yl)-3-(4-fluoroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903781
(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
1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-(4-methylanilino)-6,7-dihydro-5H-indazol-4-one
CID 43903779
1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903792
(6S)-6-(furan-2-yl)-3-methyl-1-pyridin-2-yl-6,7-dihydro-5H-indazol-4-one
CID 675383
6-(furan-2-yl)-1-(4-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
CID 16584384
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-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447099

Frequently Asked Questions

What is the IUPAC name of 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one (CID 43903618) is 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one is O=C1CC(c2ccco2)Cc2c1c(Nc1ccccc1)nn2-c1ncccn1.
What is the InChIKey of 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is ZWTHFXNDPPPJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-17-13-14(18-8-4-11-28-18)12-16-19(17)20(24-15-6-2-1-3-7-15)25-26(16)21-22-9-5-10-23-21/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one?
3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 371.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-6-(furan-2-yl)-1-pyrimidin-2-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 43903618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).