2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one

C25H24N4O2 — CID 135948954

IUPAC2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(N3CCCC3)nccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C25H24N4O2/c30-21-11-5-4-10-19(21)23-27-20-12-14-26-24(28-15-6-7-16-28)22(20)25(31)29(23)17-13-18-8-2-1-3-9-18/h1-5,8-12,14,30H,6-7,13,15-17H2
InChIKeyOYRBKHHIYAOUMX-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.01
Rot. Bonds5

About 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one

2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 135948954) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one
PubChem CID135948954
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(N3CCCC3)nccc2nc(-c2ccccc2O)n1CCc1ccccc1
InChIInChI=1S/C25H24N4O2/c30-21-11-5-4-10-19(21)23-27-20-12-14-26-24(28-15-6-7-16-28)22(20)25(31)29(23)17-13-18-8-2-1-3-9-18/h1-5,8-12,14,30H,6-7,13,15-17H2
InChIKeyOYRBKHHIYAOUMX-UHFFFAOYSA-N
XLogP4.01
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one (CID 135948954) is 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one is O=c1c2c(N3CCCC3)nccc2nc(-c2ccccc2O)n1CCc1ccccc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OYRBKHHIYAOUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c30-21-11-5-4-10-19(21)23-27-20-12-14-26-24(28-15-6-7-16-28)22(20)25(31)29(23)17-13-18-8-2-1-3-9-18/h1-5,8-12,14,30H,6-7,13,15-17H2.
What are the key properties of 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one?
2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 412.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-(2-phenylethyl)-5-pyrrolidin-1-ylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135948954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).