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

C21H23N5O2 — CID 16584395

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
SMILESCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)CC(c1ccccc1OC)C2
InChIInChI=1S/C21H23N5O2/c1-12-9-13(2)24-21(23-12)26-16-10-14(15-7-5-6-8-18(15)28-4)11-17(27)19(16)20(22-3)25-26/h5-9,14H,10-11H2,1-4H3,(H,22,25)
InChIKeySIDVYFZCBXVWJE-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.24
Rot. Bonds4

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

1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one (PubChem CID 16584395) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
PubChem CID16584395
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one
SMILESCNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)CC(c1ccccc1OC)C2
InChIInChI=1S/C21H23N5O2/c1-12-9-13(2)24-21(23-12)26-16-10-14(15-7-5-6-8-18(15)28-4)11-17(27)19(16)20(22-3)25-26/h5-9,14H,10-11H2,1-4H3,(H,22,25)
InChIKeySIDVYFZCBXVWJE-UHFFFAOYSA-N
XLogP3.24
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one (CID 16584395) is 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one is CNc1nn(-c2nc(C)cc(C)n2)c2c1C(=O)CC(c1ccccc1OC)C2.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is SIDVYFZCBXVWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12-9-13(2)24-21(23-12)26-16-10-14(15-7-5-6-8-18(15)28-4)11-17(27)19(16)20(22-3)25-26/h5-9,14H,10-11H2,1-4H3,(H,22,25).
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one?
1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 377.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-6-(2-methoxyphenyl)-3-(methylamino)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 16584395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).