1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea

C21H17N5O3 — CID 90670926

IUPAC1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ncccc1OCc1ccccc1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C21H17N5O3/c27-20-16(13-23-18-10-4-5-12-26(18)20)24-21(28)25-19-17(9-6-11-22-19)29-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,22,24,25,28)
InChIKeyWXADIWWDRKIWPJ-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.31
Rot. Bonds5

About 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea

1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 90670926) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID90670926
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ncccc1OCc1ccccc1)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C21H17N5O3/c27-20-16(13-23-18-10-4-5-12-26(18)20)24-21(28)25-19-17(9-6-11-22-19)29-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,22,24,25,28)
InChIKeyWXADIWWDRKIWPJ-UHFFFAOYSA-N
XLogP3.31
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 90670926) is 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea is O=C(Nc1ncccc1OCc1ccccc1)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is WXADIWWDRKIWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c27-20-16(13-23-18-10-4-5-12-26(18)20)24-21(28)25-19-17(9-6-11-22-19)29-14-15-7-2-1-3-8-15/h1-13H,14H2,(H2,22,24,25,28).
What are the key properties of 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 387.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopyrido[1,2-a]pyrimidin-3-yl)-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 90670926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).