1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C22H23N7O3 — CID 58379544

IUPAC1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C22H23N7O3/c1-13(30)28-8-6-15(7-9-28)29-20-18(27(2)22(29)31)12-23-17-5-4-16(26-19(17)20)14-10-24-21(32-3)25-11-14/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyFIEGXTNREZBMGI-UHFFFAOYSA-N
MW433.47 g/mol
LogP1.93
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379544) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379544
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C22H23N7O3/c1-13(30)28-8-6-15(7-9-28)29-20-18(27(2)22(29)31)12-23-17-5-4-16(26-19(17)20)14-10-24-21(32-3)25-11-14/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyFIEGXTNREZBMGI-UHFFFAOYSA-N
XLogP1.93
TPSA108.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one 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-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379544) is 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is COc1ncc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is FIEGXTNREZBMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-13(30)28-8-6-15(7-9-28)29-20-18(27(2)22(29)31)12-23-17-5-4-16(26-19(17)20)14-10-24-21(32-3)25-11-14/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 433.47 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-8-(2-methoxypyrimidin-5-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).