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

C25H29N7O3 — CID 58379539

IUPAC1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C25H29N7O3/c1-29(2)15-22(33)31-11-9-17(10-12-31)32-24-20(30(3)25(32)34)14-26-19-7-6-18(28-23(19)24)16-5-8-21(35-4)27-13-16/h5-8,13-14,17H,9-12,15H2,1-4H3
InChIKeyABXIVYJPASFGEB-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.08
Rot. Bonds5

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

1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379539) has the molecular formula C25H29N7O3 and a molecular weight of 475.55 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379539
Molecular FormulaC25H29N7O3
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1
InChIInChI=1S/C25H29N7O3/c1-29(2)15-22(33)31-11-9-17(10-12-31)32-24-20(30(3)25(32)34)14-26-19-7-6-18(28-23(19)24)16-5-8-21(35-4)27-13-16/h5-8,13-14,17H,9-12,15H2,1-4H3
InChIKeyABXIVYJPASFGEB-UHFFFAOYSA-N
XLogP2.08
TPSA98.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The IUPAC name of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379539) is 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.
What is the SMILES notation for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The canonical SMILES for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CN(C)C)CC2)c(=O)n4C)cn1.
What is the InChIKey of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is ABXIVYJPASFGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3/c1-29(2)15-22(33)31-11-9-17(10-12-31)32-24-20(30(3)25(32)34)14-26-19-7-6-18(28-23(19)24)16-5-8-21(35-4)27-13-16/h5-8,13-14,17H,9-12,15H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 475.55 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).