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

C26H22N6O2 — CID 45254590

IUPAC2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1
InChIInChI=1S/C26H22N6O2/c1-26(2,15-27)17-6-8-18(9-7-17)32-24-21(31(3)25(32)33)14-28-20-11-10-19(30-23(20)24)16-5-12-22(34-4)29-13-16/h5-14H,1-4H3
InChIKeyHDUSSKFSDZVGIJ-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.14
Rot. Bonds4

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

2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile (PubChem CID 45254590) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
PubChem CID45254590
Molecular FormulaC26H22N6O2
Molecular Weight450.50 g/mol
Exact Mass450.18
IUPAC Name2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
SMILESCOc1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1
InChIInChI=1S/C26H22N6O2/c1-26(2,15-27)17-6-8-18(9-7-17)32-24-21(31(3)25(32)33)14-28-20-11-10-19(30-23(20)24)16-5-12-22(34-4)29-13-16/h5-14H,1-4H3
InChIKeyHDUSSKFSDZVGIJ-UHFFFAOYSA-N
XLogP4.14
TPSA98.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
The IUPAC name of 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile (CID 45254590) is 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile is COc1ccc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1.
What is the InChIKey of 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
The InChIKey is HDUSSKFSDZVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-26(2,15-27)17-6-8-18(9-7-17)32-24-21(31(3)25(32)33)14-28-20-11-10-19(30-23(20)24)16-5-12-22(34-4)29-13-16/h5-14H,1-4H3.
What are the key properties of 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile?
2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile has a molecular weight of 450.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-(6-methoxy-3-pyridinyl)-3-methyl-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile is sourced from PubChem (CID 45254590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).