2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile

C25H20N6O2 — CID 45254589

IUPAC2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
SMILESCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
InChIInChI=1S/C25H20N6O2/c1-25(2,14-26)16-5-7-17(8-6-16)31-23-20(30-24(31)32)13-27-19-10-9-18(29-22(19)23)15-4-11-21(33-3)28-12-15/h4-13H,1-3H3,(H,30,32)
InChIKeyMXLZNYSXMWKNRW-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.13
Rot. Bonds4

About 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile

2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile (PubChem CID 45254589) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
PubChem CID45254589
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
SMILESCOc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
InChIInChI=1S/C25H20N6O2/c1-25(2,14-26)16-5-7-17(8-6-16)31-23-20(30-24(31)32)13-27-19-10-9-18(29-22(19)23)15-4-11-21(33-3)28-12-15/h4-13H,1-3H3,(H,30,32)
InChIKeyMXLZNYSXMWKNRW-UHFFFAOYSA-N
XLogP4.13
TPSA109.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile (CID 45254589) is 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile is COc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1.
What is the InChIKey of 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
The InChIKey is MXLZNYSXMWKNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c1-25(2,14-26)16-5-7-17(8-6-16)31-23-20(30-24(31)32)13-27-19-10-9-18(29-22(19)23)15-4-11-21(33-3)28-12-15/h4-13H,1-3H3,(H,30,32).
What are the key properties of 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile has a molecular weight of 436.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 45254589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).