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

C17H16N4O2 — CID 2979911

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1cc(C)nc(-n2ncc3c2CC(c2ccco2)CC3=O)n1
InChIInChI=1S/C17H16N4O2/c1-10-6-11(2)20-17(19-10)21-14-7-12(16-4-3-5-23-16)8-15(22)13(14)9-18-21/h3-6,9,12H,7-8H2,1-2H3
InChIKeyMUFOTAJNYSEIPF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.78
Rot. Bonds2

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

1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 2979911) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
PubChem CID2979911
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESCc1cc(C)nc(-n2ncc3c2CC(c2ccco2)CC3=O)n1
InChIInChI=1S/C17H16N4O2/c1-10-6-11(2)20-17(19-10)21-14-7-12(16-4-3-5-23-16)8-15(22)13(14)9-18-21/h3-6,9,12H,7-8H2,1-2H3
InChIKeyMUFOTAJNYSEIPF-UHFFFAOYSA-N
XLogP2.78
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Nky80
CID 2772368
7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 665400
2-[(4-ethylphenyl)amino]-7-(2-furyl)-7,8-dihydroquinazolin-5(6H)-one
CID 665816
1-(4,6-dimethylpyrimidin-2-yl)-6-(4-methoxyphenyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4892660
8-(2-furyl)-2-methyl-3-phenyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 667097
6-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 4896838
3-(4-chlorophenyl)-8-(2-furyl)-2-methyl-8,9-dihydropyrazolo[1,5-a]quinazolin-6(7H)-one
CID 666934
3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(2-furyl)-1-methylpropyl]propanamide
CID 3240477
US11186582, Example 45
CID 118471387
US11186582, Example 125
CID 118471399
7-(2-Furyl)-2-phenethyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 71709033
2-(diethylamino)-7-(furan-2-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3838311

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one (CID 2979911) is 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one is Cc1cc(C)nc(-n2ncc3c2CC(c2ccco2)CC3=O)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is MUFOTAJNYSEIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10-6-11(2)20-17(19-10)21-14-7-12(16-4-3-5-23-16)8-15(22)13(14)9-18-21/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one?
1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 308.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 2979911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).