8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

C22H24N6O2 — CID 58379536

IUPAC8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1
InChIInChI=1S/C22H24N6O2/c1-26(2)19-7-4-14(12-24-19)16-5-6-17-20(25-16)21-18(13-23-17)27(3)22(29)28(21)15-8-10-30-11-9-15/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyJCTRGAPFFKRWHE-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.76
Rot. Bonds3

About 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one

8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379536) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379536
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1
InChIInChI=1S/C22H24N6O2/c1-26(2)19-7-4-14(12-24-19)16-5-6-17-20(25-16)21-18(13-23-17)27(3)22(29)28(21)15-8-10-30-11-9-15/h4-7,12-13,15H,8-11H2,1-3H3
InChIKeyJCTRGAPFFKRWHE-UHFFFAOYSA-N
XLogP2.76
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379536) is 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1.
What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is JCTRGAPFFKRWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-26(2)19-7-4-14(12-24-19)16-5-6-17-20(25-16)21-18(13-23-17)27(3)22(29)28(21)15-8-10-30-11-9-15/h4-7,12-13,15H,8-11H2,1-3H3.
What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 404.47 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).