3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one

C19H22N6O — CID 167845036

IUPAC3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one
SMILESCCC1=CC2N=CC(CN3CCN(c4ccncn4)CC3)=CC2=NC1=O
InChIInChI=1S/C19H22N6O/c1-2-15-10-16-17(23-19(15)26)9-14(11-21-16)12-24-5-7-25(8-6-24)18-3-4-20-13-22-18/h3-4,9-11,13,16H,2,5-8,12H2,1H3
InChIKeyZSXHOWSVJGOFHA-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.30
Rot. Bonds4

About 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one

3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one (PubChem CID 167845036) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one
PubChem CID167845036
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one
SMILESCCC1=CC2N=CC(CN3CCN(c4ccncn4)CC3)=CC2=NC1=O
InChIInChI=1S/C19H22N6O/c1-2-15-10-16-17(23-19(15)26)9-14(11-21-16)12-24-5-7-25(8-6-24)18-3-4-20-13-22-18/h3-4,9-11,13,16H,2,5-8,12H2,1H3
InChIKeyZSXHOWSVJGOFHA-UHFFFAOYSA-N
XLogP1.30
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one?
The IUPAC name of 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one (CID 167845036) is 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one.
What is the SMILES notation for 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one?
The canonical SMILES for 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one is CCC1=CC2N=CC(CN3CCN(c4ccncn4)CC3)=CC2=NC1=O.
What is the InChIKey of 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one?
The InChIKey is ZSXHOWSVJGOFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-15-10-16-17(23-19(15)26)9-14(11-21-16)12-24-5-7-25(8-6-24)18-3-4-20-13-22-18/h3-4,9-11,13,16H,2,5-8,12H2,1H3.
What are the key properties of 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one?
3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one has a molecular weight of 350.43 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]-4aH-1,5-naphthyridin-2-one is sourced from PubChem (CID 167845036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).