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

C26H31N7O3 — CID 58379485

IUPAC8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)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)O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C26H31N7O3/c1-26(2,36)24(34)32-12-10-17(11-13-32)33-23-20(31(5)25(33)35)15-27-19-8-7-18(29-22(19)23)16-6-9-21(28-14-16)30(3)4/h6-9,14-15,17,36H,10-13H2,1-5H3
InChIKeyGOHCMOZSNPQMKB-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.35
Rot. Bonds4

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

8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (PubChem CID 58379485) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one.

Molecular Properties

Compound Name8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
PubChem CID58379485
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC Name8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)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)O)CC2)c(=O)n4C)cn1
InChIInChI=1S/C26H31N7O3/c1-26(2,36)24(34)32-12-10-17(11-13-32)33-23-20(31(5)25(33)35)15-27-19-8-7-18(29-22(19)23)16-6-9-21(28-14-16)30(3)4/h6-9,14-15,17,36H,10-13H2,1-5H3
InChIKeyGOHCMOZSNPQMKB-UHFFFAOYSA-N
XLogP2.35
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.35
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-hydroxy-2-methylpropanoyl)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-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one (CID 58379485) is 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)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-hydroxy-2-methylpropanoyl)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-hydroxy-2-methylpropanoyl)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)O)CC2)c(=O)n4C)cn1.
What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
The InChIKey is GOHCMOZSNPQMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-26(2,36)24(34)32-12-10-17(11-13-32)33-23-20(31(5)25(33)35)15-27-19-8-7-18(29-22(19)23)16-6-9-21(28-14-16)30(3)4/h6-9,14-15,17,36H,10-13H2,1-5H3.
What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one?
8-[6-(dimethylamino)-3-pyridinyl]-1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one has a molecular weight of 489.58 g/mol, XLogP of 2.35, 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-hydroxy-2-methylpropanoyl)piperidin-4-yl]-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one is sourced from PubChem (CID 58379485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).