6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one

C21H25N5O2 — CID 44616049

IUPAC6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
SMILESCOCCCn1ccc2nc(N3CCN(c4ccccc4)CC3)ncc2c1=O
InChIInChI=1S/C21H25N5O2/c1-28-15-5-9-25-10-8-19-18(20(25)27)16-22-21(23-19)26-13-11-24(12-14-26)17-6-3-2-4-7-17/h2-4,6-8,10,16H,5,9,11-15H2,1H3
InChIKeyLLULIJVUKUDKDV-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.15
Rot. Bonds6

About 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one

6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 44616049) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
PubChem CID44616049
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one
SMILESCOCCCn1ccc2nc(N3CCN(c4ccccc4)CC3)ncc2c1=O
InChIInChI=1S/C21H25N5O2/c1-28-15-5-9-25-10-8-19-18(20(25)27)16-22-21(23-19)26-13-11-24(12-14-26)17-6-3-2-4-7-17/h2-4,6-8,10,16H,5,9,11-15H2,1H3
InChIKeyLLULIJVUKUDKDV-UHFFFAOYSA-N
XLogP2.15
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one (CID 44616049) is 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one is COCCCn1ccc2nc(N3CCN(c4ccccc4)CC3)ncc2c1=O.
What is the InChIKey of 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is LLULIJVUKUDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-15-5-9-25-10-8-19-18(20(25)27)16-22-21(23-19)26-13-11-24(12-14-26)17-6-3-2-4-7-17/h2-4,6-8,10,16H,5,9,11-15H2,1H3.
What are the key properties of 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one?
6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 379.46 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypropyl)-2-(4-phenylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 44616049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).