1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one

C17H26N4O — CID 51036701

IUPAC1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCCC3)nc21
InChIInChI=1S/C17H26N4O/c1-17(2,3)12-21-13-8-9-14(20-10-6-5-7-11-20)18-15(13)19(4)16(21)22/h8-9H,5-7,10-12H2,1-4H3
InChIKeyZJBBCZAWPDDFJH-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.77
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one

1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one (PubChem CID 51036701) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
PubChem CID51036701
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCCC3)nc21
InChIInChI=1S/C17H26N4O/c1-17(2,3)12-21-13-8-9-14(20-10-6-5-7-11-20)18-15(13)19(4)16(21)22/h8-9H,5-7,10-12H2,1-4H3
InChIKeyZJBBCZAWPDDFJH-UHFFFAOYSA-N
XLogP2.77
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one (CID 51036701) is 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC(C)(C)C)c2ccc(N3CCCCC3)nc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one?
The InChIKey is ZJBBCZAWPDDFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-17(2,3)12-21-13-8-9-14(20-10-6-5-7-11-20)18-15(13)19(4)16(21)22/h8-9H,5-7,10-12H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one?
1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-5-piperidin-1-ylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 51036701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).