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

C25H35N7O2 — CID 51036307

IUPAC1-(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
SMILESCC(C)c1cc(C(=O)N2CC3CCC2CN3c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)n[nH]1
InChIInChI=1S/C25H35N7O2/c1-15(2)18-11-19(28-27-18)23(33)31-13-16-7-8-17(31)12-30(16)21-10-9-20-22(26-21)29(6)24(34)32(20)14-25(3,4)5/h9-11,15-17H,7-8,12-14H2,1-6H3,(H,27,28)
InChIKeyKUQNZKORKCLUBJ-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.12
Rot. Bonds4

About 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

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 (PubChem CID 51036307) has the molecular formula C25H35N7O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID51036307
Molecular FormulaC25H35N7O2
Molecular Weight465.60 g/mol
Exact Mass465.29
IUPAC Name1-(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
SMILESCC(C)c1cc(C(=O)N2CC3CCC2CN3c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)n[nH]1
InChIInChI=1S/C25H35N7O2/c1-15(2)18-11-19(28-27-18)23(33)31-13-16-7-8-17(31)12-30(16)21-10-9-20-22(26-21)29(6)24(34)32(20)14-25(3,4)5/h9-11,15-17H,7-8,12-14H2,1-6H3,(H,27,28)
InChIKeyKUQNZKORKCLUBJ-UHFFFAOYSA-N
XLogP3.12
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
1-(2,2-dimethylpropyl)-5-[5-(1,5-dimethylpyrazole-3-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-3-methylimidazo[4,5-b]pyridin-2-one;2,2,2-trifluoroacetic acid
CID 173042348
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
5-[5-(5-chloro-2-fluorobenzoyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one;2,2,2-trifluoroacetic acid
CID 171928065
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(pyridine-3-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]imidazo[4,5-b]pyridin-2-one
CID 75603493
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
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-piperidin-3-ylimidazo[4,5-b]pyridin-2-one
CID 71136197
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
1-(2,2-dimethylpropyl)-5-[5-[(1S)-1-hydroxyethyl]-2-methylphenyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 86691836
N-[5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-2,2-dimethylcyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 71135242
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cc(C(=O)N2CC3CCC2CN3c2ccc3c(n2)n(C)c(=O)n3CC(C)(C)C)n[nH]1.
What is the InChIKey of 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?
The InChIKey is KUQNZKORKCLUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O2/c1-15(2)18-11-19(28-27-18)23(33)31-13-16-7-8-17(31)12-30(16)21-10-9-20-22(26-21)29(6)24(34)32(20)14-25(3,4)5/h9-11,15-17H,7-8,12-14H2,1-6H3,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 465.60 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 51036307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).