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

C24H27N7O2 — CID 58379496

IUPAC1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1
InChIInChI=1S/C24H27N7O2/c1-15(32)30-11-9-17(10-12-30)31-23-20(29(4)24(31)33)14-25-19-7-6-18(27-22(19)23)16-5-8-21(26-13-16)28(2)3/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyFDWYRWDMLCDEJO-UHFFFAOYSA-N
MW445.53 g/mol
LogP2.59
Rot. Bonds3

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

1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379496) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379496
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC Name1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1
InChIInChI=1S/C24H27N7O2/c1-15(32)30-11-9-17(10-12-30)31-23-20(29(4)24(31)33)14-25-19-7-6-18(27-22(19)23)16-5-8-21(26-13-16)28(2)3/h5-8,13-14,17H,9-12H2,1-4H3
InChIKeyFDWYRWDMLCDEJO-UHFFFAOYSA-N
XLogP2.59
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 52.59
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)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379496) is 1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(N(C)C)nc5)nc4c32)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is FDWYRWDMLCDEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-15(32)30-11-9-17(10-12-30)31-23-20(29(4)24(31)33)14-25-19-7-6-18(27-22(19)23)16-5-8-21(26-13-16)28(2)3/h5-8,13-14,17H,9-12H2,1-4H3.
What are the key properties of 1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-(1-acetylpiperidin-4-yl)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 445.53 g/mol, XLogP of 2.59, 3 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)-8-[6-(dimethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).