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

C25H20N6O — CID 45254777

IUPAC2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
SMILESCc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
InChIInChI=1S/C25H20N6O/c1-15-4-5-16(12-27-15)19-10-11-20-22(29-19)23-21(13-28-20)30-24(32)31(23)18-8-6-17(7-9-18)25(2,3)14-26/h4-13H,1-3H3,(H,30,32)
InChIKeyDGFULVBYUKIVSE-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.43
Rot. Bonds3

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

2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (PubChem CID 45254777) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
PubChem CID45254777
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
SMILESCc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
InChIInChI=1S/C25H20N6O/c1-15-4-5-16(12-27-15)19-10-11-20-22(29-19)23-21(13-28-20)30-24(32)31(23)18-8-6-17(7-9-18)25(2,3)14-26/h4-13H,1-3H3,(H,30,32)
InChIKeyDGFULVBYUKIVSE-UHFFFAOYSA-N
XLogP4.43
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (CID 45254777) is 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is Cc1ccc(-c2ccc3ncc4[nH]c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1.
What is the InChIKey of 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The InChIKey is DGFULVBYUKIVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c1-15-4-5-16(12-27-15)19-10-11-20-22(29-19)23-21(13-28-20)30-24(32)31(23)18-8-6-17(7-9-18)25(2,3)14-26/h4-13H,1-3H3,(H,30,32).
What are the key properties of 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile has a molecular weight of 420.48 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 45254777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).