2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile

C24H21N7O — CID 58379553

IUPAC2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1
InChIInChI=1S/C24H21N7O/c1-24(2,14-25)16-5-7-17(8-6-16)31-22-20(30(4)23(31)32)12-26-19-10-9-18(28-21(19)22)15-11-27-29(3)13-15/h5-13H,1-4H3
InChIKeySTXIVYUSLZGPCJ-UHFFFAOYSA-N
MW423.48 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile

2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (PubChem CID 58379553) has the molecular formula C24H21N7O and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
PubChem CID58379553
Molecular FormulaC24H21N7O
Molecular Weight423.48 g/mol
Exact Mass423.18
IUPAC Name2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
SMILESCn1cc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1
InChIInChI=1S/C24H21N7O/c1-24(2,14-25)16-5-7-17(8-6-16)31-22-20(30(4)23(31)32)12-26-19-10-9-18(28-21(19)22)15-11-27-29(3)13-15/h5-13H,1-4H3
InChIKeySTXIVYUSLZGPCJ-UHFFFAOYSA-N
XLogP3.47
TPSA94.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile (CID 58379553) is 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is Cn1cc(-c2ccc3ncc4c(c3n2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1.
What is the InChIKey of 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
The InChIKey is STXIVYUSLZGPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O/c1-24(2,14-25)16-5-7-17(8-6-16)31-22-20(30(4)23(31)32)12-26-19-10-9-18(28-21(19)22)15-11-27-29(3)13-15/h5-13H,1-4H3.
What are the key properties of 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile?
2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile has a molecular weight of 423.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-methyl-8-(1-methylpyrazol-4-yl)-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 58379553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).