3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid

C20H26N4O3 — CID 135220748

IUPAC3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CCC(C3)N4C(=O)O)nc21
InChIInChI=1S/C20H26N4O3/c1-20(2,3)11-23-16-8-7-15(21-17(16)22(4)18(23)25)12-9-13-5-6-14(10-12)24(13)19(26)27/h7-9,13-14H,5-6,10-11H2,1-4H3,(H,26,27)
InChIKeySBUQQEQMCDDVKX-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.08
Rot. Bonds2

About 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid

3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid (PubChem CID 135220748) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid.

Molecular Properties

Compound Name3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
PubChem CID135220748
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CCC(C3)N4C(=O)O)nc21
InChIInChI=1S/C20H26N4O3/c1-20(2,3)11-23-16-8-7-15(21-17(16)22(4)18(23)25)12-9-13-5-6-14(10-12)24(13)19(26)27/h7-9,13-14H,5-6,10-11H2,1-4H3,(H,26,27)
InChIKeySBUQQEQMCDDVKX-UHFFFAOYSA-N
XLogP3.08
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid with MolForge

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Related Compounds

5-[2-(3,3-difluoro-2-hydroxy-2-methylpropanoyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71117416
tert-butyl N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]carbamate
CID 71128770
1-(2,2-dimethylpropyl)-5-[2-(2-hydroxyhexanoyl)-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 71140714
tert-butyl 5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 71136196
1-(2,2-dimethylpropyl)-5-[2-[(1S,2R)-2-fluoro-1-hydroxycyclopentanecarbonyl]-3,3a,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 71140713
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-[2-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-one
CID 54761056
1-(2,2-dimethylpropyl)-5-[5-[(1S)-1-hydroxyethyl]-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 86691836
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
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 51036307
N-[4-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohex-3-en-1-yl]-1,3-oxazole-2-carboxamide
CID 71117067
benzyl-[3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]cyclohexyl]carbamic acid
CID 135220791

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid?
The IUPAC name of 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid (CID 135220748) is 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid.
What is the SMILES notation for 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid?
The canonical SMILES for 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid is Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=CC4CCC(C3)N4C(=O)O)nc21.
What is the InChIKey of 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid?
The InChIKey is SBUQQEQMCDDVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-20(2,3)11-23-16-8-7-15(21-17(16)22(4)18(23)25)12-9-13-5-6-14(10-12)24(13)19(26)27/h7-9,13-14H,5-6,10-11H2,1-4H3,(H,26,27).
What are the key properties of 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid?
3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylic acid is sourced from PubChem (CID 135220748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).