2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile

C25H22N6O — CID 162651777

IUPAC2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
SMILESCc1[nH]ncc1-c1ccc2ncc3c(c2c1)n(-c1ccc(C(C)(C)C#N)cc1)c(=O)n3C
InChIInChI=1S/C25H22N6O/c1-15-20(12-28-29-15)16-5-10-21-19(11-16)23-22(13-27-21)30(4)24(32)31(23)18-8-6-17(7-9-18)25(2,3)14-26/h5-13H,1-4H3,(H,28,29)
InChIKeyFSPRIMXWOQOOJQ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.38
Rot. Bonds3

About 2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile

2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile (PubChem CID 162651777) has the molecular formula C25H22N6O and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
PubChem CID162651777
Molecular FormulaC25H22N6O
Molecular Weight422.49 g/mol
Exact Mass422.19
IUPAC Name2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
SMILESCc1[nH]ncc1-c1ccc2ncc3c(c2c1)n(-c1ccc(C(C)(C)C#N)cc1)c(=O)n3C
InChIInChI=1S/C25H22N6O/c1-15-20(12-28-29-15)16-5-10-21-19(11-16)23-22(13-27-21)30(4)24(32)31(23)18-8-6-17(7-9-18)25(2,3)14-26/h5-13H,1-4H3,(H,28,29)
InChIKeyFSPRIMXWOQOOJQ-UHFFFAOYSA-N
XLogP4.38
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.38
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-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile (CID 162651777) is 2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile is Cc1[nH]ncc1-c1ccc2ncc3c(c2c1)n(-c1ccc(C(C)(C)C#N)cc1)c(=O)n3C.
What is the InChIKey of 2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile?
The InChIKey is FSPRIMXWOQOOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O/c1-15-20(12-28-29-15)16-5-10-21-19(11-16)23-22(13-27-21)30(4)24(32)31(23)18-8-6-17(7-9-18)25(2,3)14-26/h5-13H,1-4H3,(H,28,29).
What are the key properties of 2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile?
2-methyl-2-[4-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile has a molecular weight of 422.49 g/mol, XLogP of 4.38, 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-[3-methyl-8-(5-methyl-1H-pyrazol-4-yl)-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile is sourced from PubChem (CID 162651777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).