5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide

C22H23N7O3 — CID 71038741

IUPAC5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCCn1c(N2CCNCC2)nc2cc(C(N)=O)n(CC(=O)c3cccc(C#N)c3)c(=O)c21
InChIInChI=1S/C22H23N7O3/c1-2-28-19-16(26-22(28)27-8-6-25-7-9-27)11-17(20(24)31)29(21(19)32)13-18(30)15-5-3-4-14(10-15)12-23/h3-5,10-11,25H,2,6-9,13H2,1H3,(H2,24,31)
InChIKeyQIQCWNIQWBVGLE-UHFFFAOYSA-N
MW433.47 g/mol
LogP0.48
Rot. Bonds6

About 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide

5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 71038741) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID71038741
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCCn1c(N2CCNCC2)nc2cc(C(N)=O)n(CC(=O)c3cccc(C#N)c3)c(=O)c21
InChIInChI=1S/C22H23N7O3/c1-2-28-19-16(26-22(28)27-8-6-25-7-9-27)11-17(20(24)31)29(21(19)32)13-18(30)15-5-3-4-14(10-15)12-23/h3-5,10-11,25H,2,6-9,13H2,1H3,(H2,24,31)
InChIKeyQIQCWNIQWBVGLE-UHFFFAOYSA-N
XLogP0.48
TPSA139.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide (CID 71038741) is 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide is CCn1c(N2CCNCC2)nc2cc(C(N)=O)n(CC(=O)c3cccc(C#N)c3)c(=O)c21.
What is the InChIKey of 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is QIQCWNIQWBVGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-2-28-19-16(26-22(28)27-8-6-25-7-9-27)11-17(20(24)31)29(21(19)32)13-18(30)15-5-3-4-14(10-15)12-23/h3-5,10-11,25H,2,6-9,13H2,1H3,(H2,24,31).
What are the key properties of 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide?
5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyanophenyl)-2-oxoethyl]-3-ethyl-4-oxo-2-piperazin-1-ylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 71038741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).