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

C₂₇H₃₃N₇O₂ — CID 58379542

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

8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379542) has the molecular formula C₂₇H₃₃N₇O₂ and a molecular weight of 487.61 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

• Compound Name: 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
• PubChem CID: 58379542
• Molecular Formula: C₂₇H₃₃N₇O₂
• Molecular Weight: 487.61 g/mol
• Exact Mass: 487.27
• IUPAC Name: 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
• SMILES: CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)C)CC2)c(=O)n4C)cn1
• InChI: InChI=1S/C27H33N7O2/c1-27(2,3)25(35)33-13-11-18(12-14-33)34-24-21(32(6)26(34)36)16-28-20-9-8-19(30-23(20)24)17-7-10-22(29-15-17)31(4)5/h7-10,15-16,18H,11-14H2,1-6H3
• InChIKey: YXAZHKOUFFBQCQ-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 89.15 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.61
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?

The IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379542) is 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)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-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?

The canonical SMILES for 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)C)CC2)c(=O)n4C)cn1.

What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?

The InChIKey is YXAZHKOUFFBQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O2/c1-27(2,3)25(35)33-13-11-18(12-14-33)34-24-21(32(6)26(34)36)16-28-20-9-8-19(30-23(20)24)17-7-10-22(29-15-17)31(4)5/h7-10,15-16,18H,11-14H2,1-6H3.

What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?

8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 487.61 g/mol, XLogP of 3.62, 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]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 58379542 — identifiers, structure, computed properties (public domain)

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