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

IUPAC8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)C)CC2)c(=O)n4C)cn1
InChIInChI=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
InChIKeyYXAZHKOUFFBQCQ-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.62
Rot. Bonds3

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 Name8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379542
Molecular FormulaC27H33N7O2
Molecular Weight487.61 g/mol
Exact Mass487.27
IUPAC Name8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
SMILESCN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)C(C)(C)C)CC2)c(=O)n4C)cn1
InChIInChI=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
InChIKeyYXAZHKOUFFBQCQ-UHFFFAOYSA-N
XLogP3.62
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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).