6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one

C19H16N4O — CID 24759479

IUPAC6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one
SMILESCCc1ccc(-c2cc(-c3ccc4[nH]ncc4c3)nc(=O)[nH]2)cc1
InChIInChI=1S/C19H16N4O/c1-2-12-3-5-13(6-4-12)17-10-18(22-19(24)21-17)14-7-8-16-15(9-14)11-20-23-16/h3-11H,2H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyCKDGWVVOAMTOQJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.54
Rot. Bonds3

About 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one

6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one (PubChem CID 24759479) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one
PubChem CID24759479
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one
SMILESCCc1ccc(-c2cc(-c3ccc4[nH]ncc4c3)nc(=O)[nH]2)cc1
InChIInChI=1S/C19H16N4O/c1-2-12-3-5-13(6-4-12)17-10-18(22-19(24)21-17)14-7-8-16-15(9-14)11-20-23-16/h3-11H,2H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyCKDGWVVOAMTOQJ-UHFFFAOYSA-N
XLogP3.54
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one (CID 24759479) is 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one is CCc1ccc(-c2cc(-c3ccc4[nH]ncc4c3)nc(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The InChIKey is CKDGWVVOAMTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-12-3-5-13(6-4-12)17-10-18(22-19(24)21-17)14-7-8-16-15(9-14)11-20-23-16/h3-11H,2H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one has a molecular weight of 316.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-4-(1H-indazol-5-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 24759479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).