1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid

C25H27N5O4 — CID 69485485

IUPAC1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2C[C@@H](O)c1ccccc1
InChIInChI=1S/C25H27N5O4/c31-21(19-4-2-1-3-5-19)17-30-23-27-20(18-6-11-26-12-7-18)16-22(32)29(23)15-10-25(30)8-13-28(14-9-25)24(33)34/h1-7,11-12,16,21,31H,8-10,13-15,17H2,(H,33,34)/t21-/m1/s1
InChIKeyWSDVIJGVDBQCLJ-OAQYLSRUSA-N
MW461.52 g/mol
LogP2.76
Rot. Bonds4

About 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid

1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 69485485) has the molecular formula C25H27N5O4 and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid
PubChem CID69485485
Molecular FormulaC25H27N5O4
Molecular Weight461.52 g/mol
Exact Mass461.21
IUPAC Name1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2C[C@@H](O)c1ccccc1
InChIInChI=1S/C25H27N5O4/c31-21(19-4-2-1-3-5-19)17-30-23-27-20(18-6-11-26-12-7-18)16-22(32)29(23)15-10-25(30)8-13-28(14-9-25)24(33)34/h1-7,11-12,16,21,31H,8-10,13-15,17H2,(H,33,34)/t21-/m1/s1
InChIKeyWSDVIJGVDBQCLJ-OAQYLSRUSA-N
XLogP2.76
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid (CID 69485485) is 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid is O=C(O)N1CCC2(CC1)CCn1c(nc(-c3ccncc3)cc1=O)N2C[C@@H](O)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is WSDVIJGVDBQCLJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27N5O4/c31-21(19-4-2-1-3-5-19)17-30-23-27-20(18-6-11-26-12-7-18)16-22(32)29(23)15-10-25(30)8-13-28(14-9-25)24(33)34/h1-7,11-12,16,21,31H,8-10,13-15,17H2,(H,33,34)/t21-/m1/s1.
What are the key properties of 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid?
1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 461.52 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-hydroxy-2-phenylethyl]-6-oxo-8-pyridin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 69485485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).