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

C17H13N5O — CID 16661436

IUPAC4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
SMILESNc1n[nH]c2ccc(-c3cc(-c4ccccc4)[nH]c(=O)n3)cc12
InChIInChI=1S/C17H13N5O/c18-16-12-8-11(6-7-13(12)21-22-16)15-9-14(19-17(23)20-15)10-4-2-1-3-5-10/h1-9H,(H3,18,21,22)(H,19,20,23)
InChIKeyWSSZCSKPYIIZFN-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.56
Rot. Bonds2

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

4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one (PubChem CID 16661436) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
PubChem CID16661436
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
SMILESNc1n[nH]c2ccc(-c3cc(-c4ccccc4)[nH]c(=O)n3)cc12
InChIInChI=1S/C17H13N5O/c18-16-12-8-11(6-7-13(12)21-22-16)15-9-14(19-17(23)20-15)10-4-2-1-3-5-10/h1-9H,(H3,18,21,22)(H,19,20,23)
InChIKeyWSSZCSKPYIIZFN-UHFFFAOYSA-N
XLogP2.56
TPSA100.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
CID 624641
ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one
CID 136595487
5-pyridin-3-yl-1H-indazol-3-amine
CID 59023862
4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 20626317
4-(4-amino-3-methanimidoylphenyl)-6-(4-phenoxyphenyl)-1H-pyrimidin-2-one
CID 143568020
5-[2-[3-(2-phenylethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172570945
4,6-bis(4-nitrophenyl)-1H-pyrimidin-2-one
CID 630860
5-(benzenesulfonyl)-1H-indazol-3-amine
CID 66736165
5-[2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-indazol-3-amine
CID 172570832
5-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 11658999
6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one
CID 170985957
4-(1H-indazol-5-yl)-6-(4-morpholin-4-ylphenyl)-1H-pyrimidin-2-one
CID 24759584

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one (CID 16661436) is 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one is Nc1n[nH]c2ccc(-c3cc(-c4ccccc4)[nH]c(=O)n3)cc12.
What is the InChIKey of 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one?
The InChIKey is WSSZCSKPYIIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-16-12-8-11(6-7-13(12)21-22-16)15-9-14(19-17(23)20-15)10-4-2-1-3-5-10/h1-9H,(H3,18,21,22)(H,19,20,23).
What are the key properties of 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one?
4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one has a molecular weight of 303.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 16661436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).