2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile

C22H26N4O2 — CID 89497505

IUPAC2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(C(C)(C)O)ccc3C#N)nc21
InChIInChI=1S/C22H26N4O2/c1-21(2,3)13-26-18-10-9-17(24-19(18)25(6)20(26)27)16-11-15(22(4,5)28)8-7-14(16)12-23/h7-11,28H,13H2,1-6H3
InChIKeyWKVVGGNDJKHDHH-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.55
Rot. Bonds3

About 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile

2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile (PubChem CID 89497505) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile
PubChem CID89497505
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(C(C)(C)O)ccc3C#N)nc21
InChIInChI=1S/C22H26N4O2/c1-21(2,3)13-26-18-10-9-17(24-19(18)25(6)20(26)27)16-11-15(22(4,5)28)8-7-14(16)12-23/h7-11,28H,13H2,1-6H3
InChIKeyWKVVGGNDJKHDHH-UHFFFAOYSA-N
XLogP3.55
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile (CID 89497505) is 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile is Cn1c(=O)n(CC(C)(C)C)c2ccc(-c3cc(C(C)(C)O)ccc3C#N)nc21.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile?
The InChIKey is WKVVGGNDJKHDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-21(2,3)13-26-18-10-9-17(24-19(18)25(6)20(26)27)16-11-15(22(4,5)28)8-7-14(16)12-23/h7-11,28H,13H2,1-6H3.
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile?
2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile has a molecular weight of 378.48 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-4-(2-hydroxypropan-2-yl)benzonitrile is sourced from PubChem (CID 89497505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).