9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid

C21H31N5O3 — CID 67056039

IUPAC9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC4(CCN(C(=O)O)C4)C3)nc21
InChIInChI=1S/C21H31N5O3/c1-20(2,3)12-26-15-6-7-16(22-17(15)23(4)18(26)27)24-10-5-8-21(13-24)9-11-25(14-21)19(28)29/h6-7H,5,8-14H2,1-4H3,(H,28,29)
InChIKeyIJCLZPCMLJRLCM-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.75
Rot. Bonds2

About 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid

9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid (PubChem CID 67056039) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
PubChem CID67056039
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC4(CCN(C(=O)O)C4)C3)nc21
InChIInChI=1S/C21H31N5O3/c1-20(2,3)12-26-15-6-7-16(22-17(15)23(4)18(26)27)24-10-5-8-21(13-24)9-11-25(14-21)19(28)29/h6-7H,5,8-14H2,1-4H3,(H,28,29)
InChIKeyIJCLZPCMLJRLCM-UHFFFAOYSA-N
XLogP2.75
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]piperidin-3-yl]carbamate
CID 51037340
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(5-methyl-1H-imidazole-2-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 67056073
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
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(1H-1,2,4-triazole-5-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 51036310
tert-butyl-[1-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-quinolin-3-yl]carbamic acid
CID 67056047
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
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
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
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
CID 54761745
1-(2,2-dimethylpropyl)-3-methyl-5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)imidazo[4,5-b]pyridin-2-one
CID 54761226
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

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid (CID 67056039) is 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid is Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCC4(CCN(C(=O)O)C4)C3)nc21.
What is the InChIKey of 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is IJCLZPCMLJRLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-20(2,3)12-26-15-6-7-16(22-17(15)23(4)18(26)27)24-10-5-8-21(13-24)9-11-25(14-21)19(28)29/h6-7H,5,8-14H2,1-4H3,(H,28,29).
What are the key properties of 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid?
9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 401.51 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,9-diazaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 67056039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).