1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one

C17H23N5O3 — CID 16669009

IUPAC1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)n(CC(=O)N2CCNC(=O)C2(C)C)c2cccnc21
InChIInChI=1S/C17H23N5O3/c1-11(2)22-14-12(6-5-7-18-14)20(16(22)25)10-13(23)21-9-8-19-15(24)17(21,3)4/h5-7,11H,8-10H2,1-4H3,(H,19,24)
InChIKeyDLCLBRRFTNVFQM-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.52
Rot. Bonds3

About 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one

1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one (PubChem CID 16669009) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
PubChem CID16669009
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one
SMILESCC(C)n1c(=O)n(CC(=O)N2CCNC(=O)C2(C)C)c2cccnc21
InChIInChI=1S/C17H23N5O3/c1-11(2)22-14-12(6-5-7-18-14)20(16(22)25)10-13(23)21-9-8-19-15(24)17(21,3)4/h5-7,11H,8-10H2,1-4H3,(H,19,24)
InChIKeyDLCLBRRFTNVFQM-UHFFFAOYSA-N
XLogP0.52
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one (CID 16669009) is 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one is CC(C)n1c(=O)n(CC(=O)N2CCNC(=O)C2(C)C)c2cccnc21.
What is the InChIKey of 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
The InChIKey is DLCLBRRFTNVFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(2)22-14-12(6-5-7-18-14)20(16(22)25)10-13(23)21-9-8-19-15(24)17(21,3)4/h5-7,11H,8-10H2,1-4H3,(H,19,24).
What are the key properties of 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one?
1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one has a molecular weight of 345.40 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]-3-propan-2-ylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 16669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).