1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one

C22H27N5O — CID 123409650

IUPAC1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one
SMILESCCC(C)(C)Cn1c(=O)n(C)c2nc(C3C=C(n4cccn4)C=CC3)ccc21
InChIInChI=1S/C22H27N5O/c1-5-22(2,3)15-26-19-11-10-18(24-20(19)25(4)21(26)28)16-8-6-9-17(14-16)27-13-7-12-23-27/h6-7,9-14,16H,5,8,15H2,1-4H3
InChIKeyHIYYDORVHPHCKS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.95
Rot. Bonds5

About 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one (PubChem CID 123409650) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one
PubChem CID123409650
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one
SMILESCCC(C)(C)Cn1c(=O)n(C)c2nc(C3C=C(n4cccn4)C=CC3)ccc21
InChIInChI=1S/C22H27N5O/c1-5-22(2,3)15-26-19-11-10-18(24-20(19)25(4)21(26)28)16-8-6-9-17(14-16)27-13-7-12-23-27/h6-7,9-14,16H,5,8,15H2,1-4H3
InChIKeyHIYYDORVHPHCKS-UHFFFAOYSA-N
XLogP3.95
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
CID 71136197
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-3-pyrazol-1-ylbenzamide
CID 71117061
5-(1-acetylpiperidin-3-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71475565
1-(2,2-dimethylpropyl)-3-methyl-5-(6-methyl-2-azabicyclo[2.2.2]oct-5-en-5-yl)imidazo[4,5-b]pyridin-2-one
CID 71135235
5-(5-azatricyclo[5.4.0.01,6]undeca-2,4,8-trien-10-yl)-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 123220377
5-[1-[cyclopentyl(hydroxy)methyl]piperidin-3-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 123617562
benzyl-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohexyl]carbamic acid
CID 135220791
N-[3-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyrazol-1-ylpropyl]-2-hydroxybenzamide
CID 135220737
5-(6-chloro-2-pyridinyl)-1-(2,2-dimethylpropyl)-3-methyl-5,6-dihydrobenzimidazol-2-one
CID 123735245
1-(2,2-dimethylpropyl)-3-methyl-5-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazo[4,5-b]pyridin-2-one
CID 71116752
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-2-pyridin-2-ylacetamide
CID 71117105
1-(2,2-dimethylpropyl)-3-methyl-5-[8-(2-oxo-1H-pyridine-3-carbonyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]imidazo[4,5-b]pyridin-2-one
CID 51038868

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one (CID 123409650) is 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one is CCC(C)(C)Cn1c(=O)n(C)c2nc(C3C=C(n4cccn4)C=CC3)ccc21.
What is the InChIKey of 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is HIYYDORVHPHCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-5-22(2,3)15-26-19-11-10-18(24-20(19)25(4)21(26)28)16-8-6-9-17(14-16)27-13-7-12-23-27/h6-7,9-14,16H,5,8,15H2,1-4H3.
What are the key properties of 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutyl)-3-methyl-5-(3-pyrazol-1-ylcyclohexa-2,4-dien-1-yl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 123409650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).