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

C23H14N4O2 — CID 56954253

IUPAC2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)c3cccnc3)ccc1C2=O
InChIInChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27)
InChIKeyWMZRGJNFVYCBOW-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.56
Rot. Bonds3

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

2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 56954253) has the molecular formula C23H14N4O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID56954253
Molecular FormulaC23H14N4O2
Molecular Weight378.39 g/mol
Exact Mass378.11
IUPAC Name2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)c3cccnc3)ccc1C2=O
InChIInChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27)
InChIKeyWMZRGJNFVYCBOW-UHFFFAOYSA-N
XLogP3.56
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one (CID 56954253) is 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C(=O)c3cccnc3)ccc1C2=O.
What is the InChIKey of 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is WMZRGJNFVYCBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14N4O2/c24-23-26-19(13-5-2-1-3-6-13)18-20(27-23)17-11-14(8-9-16(17)22(18)29)21(28)15-7-4-10-25-12-15/h1-12H,(H2,24,26,27).
What are the key properties of 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 378.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 56954253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).