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

C25H23N7O2 — CID 58379532

IUPAC1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6ncccc56)nc4c32)CC1
InChIInChI=1S/C25H23N7O2/c1-15(33)31-12-8-16(9-13-31)32-23-21(30(2)25(32)34)14-28-20-6-5-19(29-22(20)23)17-7-11-27-24-18(17)4-3-10-26-24/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3
InChIKeyLCOYIQIQNXUBMG-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.08
Rot. Bonds2

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

1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379532) has the molecular formula C25H23N7O2 and a molecular weight of 453.51 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379532
Molecular FormulaC25H23N7O2
Molecular Weight453.51 g/mol
Exact Mass453.19
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6ncccc56)nc4c32)CC1
InChIInChI=1S/C25H23N7O2/c1-15(33)31-12-8-16(9-13-31)32-23-21(30(2)25(32)34)14-28-20-6-5-19(29-22(20)23)17-7-11-27-24-18(17)4-3-10-26-24/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3
InChIKeyLCOYIQIQNXUBMG-UHFFFAOYSA-N
XLogP3.08
TPSA98.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379532) is 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6ncccc56)nc4c32)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is LCOYIQIQNXUBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O2/c1-15(33)31-12-8-16(9-13-31)32-23-21(30(2)25(32)34)14-28-20-6-5-19(29-22(20)23)17-7-11-27-24-18(17)4-3-10-26-24/h3-7,10-11,14,16H,8-9,12-13H2,1-2H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 453.51 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-methyl-8-(1,8-naphthyridin-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).