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

C23H26N6O3 — CID 58379581

IUPAC8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1
InChIInChI=1S/C23H26N6O3/c1-27(2)20-6-3-15(13-25-20)17-4-5-18-21(26-17)22-19(14-24-18)28(9-10-30)23(31)29(22)16-7-11-32-12-8-16/h3-6,13-14,16,30H,7-12H2,1-2H3
InChIKeyIKKOJEXQRLFBRN-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.22
Rot. Bonds5

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

8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379581) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379581
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1
InChIInChI=1S/C23H26N6O3/c1-27(2)20-6-3-15(13-25-20)17-4-5-18-21(26-17)22-19(14-24-18)28(9-10-30)23(31)29(22)16-7-11-32-12-8-16/h3-6,13-14,16,30H,7-12H2,1-2H3
InChIKeyIKKOJEXQRLFBRN-UHFFFAOYSA-N
XLogP2.22
TPSA98.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379581) is 8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1.
What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is IKKOJEXQRLFBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-27(2)20-6-3-15(13-25-20)17-4-5-18-21(26-17)22-19(14-24-18)28(9-10-30)23(31)29(22)16-7-11-32-12-8-16/h3-6,13-14,16,30H,7-12H2,1-2H3.
What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one?
8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 434.50 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(dimethylamino)-3-pyridinyl]-3-(2-hydroxyethyl)-1-(oxan-4-yl)imidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).