4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one

C17H11ClN4O — CID 24759582

IUPAC4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(Cl)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1
InChIInChI=1S/C17H11ClN4O/c18-13-3-1-2-10(7-13)15-8-16(21-17(23)20-15)11-4-5-14-12(6-11)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23)
InChIKeyWYPKRYOJLGIUHQ-UHFFFAOYSA-N
MW322.76 g/mol
LogP3.63
Rot. Bonds2

About 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one

4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one (PubChem CID 24759582) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one
PubChem CID24759582
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one
SMILESO=c1nc(-c2cccc(Cl)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1
InChIInChI=1S/C17H11ClN4O/c18-13-3-1-2-10(7-13)15-8-16(21-17(23)20-15)11-4-5-14-12(6-11)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23)
InChIKeyWYPKRYOJLGIUHQ-UHFFFAOYSA-N
XLogP3.63
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one (CID 24759582) is 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one is O=c1nc(-c2cccc(Cl)c2)cc(-c2ccc3[nH]ncc3c2)[nH]1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
The InChIKey is WYPKRYOJLGIUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-13-3-1-2-10(7-13)15-8-16(21-17(23)20-15)11-4-5-14-12(6-11)9-19-22-14/h1-9H,(H,19,22)(H,20,21,23).
What are the key properties of 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one?
4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one has a molecular weight of 322.76 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(1H-indazol-5-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 24759582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).