1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea

C25H27N7O3 — CID 67346051

IUPAC1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cc1
InChIInChI=1S/C25H27N7O3/c1-15(33)31-12-10-18(11-13-31)32-23-21(30(3)25(32)35)14-27-20-9-8-19(29-22(20)23)16-4-6-17(7-5-16)28-24(34)26-2/h4-9,14,18H,10-13H2,1-3H3,(H2,26,28,34)
InChIKeyICPHPXRLBBHARG-UHFFFAOYSA-N
MW473.54 g/mol
LogP2.88
Rot. Bonds3

About 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea

1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea (PubChem CID 67346051) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea
PubChem CID67346051
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cc1
InChIInChI=1S/C25H27N7O3/c1-15(33)31-12-10-18(11-13-31)32-23-21(30(3)25(32)35)14-27-20-9-8-19(29-22(20)23)16-4-6-17(7-5-16)28-24(34)26-2/h4-9,14,18H,10-13H2,1-3H3,(H2,26,28,34)
InChIKeyICPHPXRLBBHARG-UHFFFAOYSA-N
XLogP2.88
TPSA114.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea 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-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea (CID 67346051) is 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea is CNC(=O)Nc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)cc1.
What is the InChIKey of 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea?
The InChIKey is ICPHPXRLBBHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-15(33)31-12-10-18(11-13-31)32-23-21(30(3)25(32)35)14-27-20-9-8-19(29-22(20)23)16-4-6-17(7-5-16)28-24(34)26-2/h4-9,14,18H,10-13H2,1-3H3,(H2,26,28,34).
What are the key properties of 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea?
1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea has a molecular weight of 473.54 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1-acetylpiperidin-4-yl)-3-methyl-2-oxoimidazo[4,5-h][1,5]naphthyridin-8-yl]phenyl]-3-methylurea is sourced from PubChem (CID 67346051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).