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

C25H19FN6O2 — CID 58379503

IUPAC2-[4-[8-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
SMILESCOc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cc1F
InChIInChI=1S/C25H19FN6O2/c1-25(2,13-27)15-4-6-16(7-5-15)32-22-20(31-24(32)33)12-28-19-9-8-18(30-21(19)22)14-10-17(26)23(34-3)29-11-14/h4-12H,1-3H3,(H,31,33)
InChIKeyIRHSDUBPIFOXGG-UHFFFAOYSA-N
MW454.47 g/mol
LogP4.27
Rot. Bonds4

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

2-[4-[8-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile (PubChem CID 58379503) has the molecular formula C25H19FN6O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is 2-[4-[8-(5-fluoro-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-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
PubChem CID58379503
Molecular FormulaC25H19FN6O2
Molecular Weight454.47 g/mol
Exact Mass454.16
IUPAC Name2-[4-[8-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
SMILESCOc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cc1F
InChIInChI=1S/C25H19FN6O2/c1-25(2,13-27)15-4-6-16(7-5-15)32-22-20(31-24(32)33)12-28-19-9-8-18(30-21(19)22)14-10-17(26)23(34-3)29-11-14/h4-12H,1-3H3,(H,31,33)
InChIKeyIRHSDUBPIFOXGG-UHFFFAOYSA-N
XLogP4.27
TPSA109.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(5-fluoro-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-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile (CID 58379503) is 2-[4-[8-(5-fluoro-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-(5-fluoro-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-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile is COc1ncc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cc1F.
What is the InChIKey of 2-[4-[8-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
The InChIKey is IRHSDUBPIFOXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O2/c1-25(2,13-27)15-4-6-16(7-5-15)32-22-20(31-24(32)33)12-28-19-9-8-18(30-21(19)22)14-10-17(26)23(34-3)29-11-14/h4-12H,1-3H3,(H,31,33).
What are the key properties of 2-[4-[8-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
2-[4-[8-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile has a molecular weight of 454.47 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(5-fluoro-6-methoxy-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 58379503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).