2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one

C23H16N4O — CID 25242240

IUPAC2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cccnc3)ccc1C2=O
InChIInChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27)
InChIKeyMOPAHRHEKKVOML-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.92
Rot. Bonds3

About 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one

2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 25242240) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID25242240
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cccnc3)ccc1C2=O
InChIInChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27)
InChIKeyMOPAHRHEKKVOML-UHFFFAOYSA-N
XLogP3.92
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one (CID 25242240) is 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cccnc3)ccc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is MOPAHRHEKKVOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-23-26-20(16-6-2-1-3-7-16)19-21(27-23)18-12-14(8-9-17(18)22(19)28)11-15-5-4-10-25-13-15/h1-10,12-13H,11H2,(H2,24,26,27).
What are the key properties of 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 364.41 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 25242240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).