8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

C24H27N7O3 — CID 58379487

IUPAC8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H27N7O3/c1-28(2)20-7-4-15(12-26-20)17-5-6-18-22(27-17)23-19(13-25-18)29(3)24(34)31(23)16-8-10-30(11-9-16)21(33)14-32/h4-7,12-13,16,32H,8-11,14H2,1-3H3
InChIKeyXQLUKUIXLCBLHW-UHFFFAOYSA-N
MW461.53 g/mol
LogP1.57
Rot. Bonds4

About 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one

8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379487) has the molecular formula C24H27N7O3 and a molecular weight of 461.53 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379487
Molecular FormulaC24H27N7O3
Molecular Weight461.53 g/mol
Exact Mass461.22
IUPAC Name8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1
InChIInChI=1S/C24H27N7O3/c1-28(2)20-7-4-15(12-26-20)17-5-6-18-22(27-17)23-19(13-25-18)29(3)24(34)31(23)16-8-10-30(11-9-16)21(33)14-32/h4-7,12-13,16,32H,8-11,14H2,1-3H3
InChIKeyXQLUKUIXLCBLHW-UHFFFAOYSA-N
XLogP1.57
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.53
LogP ≤ 51.57
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]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379487) is 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cn1.
What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is XQLUKUIXLCBLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O3/c1-28(2)20-7-4-15(12-26-20)17-5-6-18-22(27-17)23-19(13-25-18)29(3)24(34)31(23)16-8-10-30(11-9-16)21(33)14-32/h4-7,12-13,16,32H,8-11,14H2,1-3H3.
What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 461.53 g/mol, XLogP of 1.57, 4 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]-1-[1-(2-hydroxyacetyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).