7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C22H31N7O3 — CID 154994738

IUPAC7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCCN1CCN(C2=CC3NN(C)C(=O)N3C=C2)c2[nH]c(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C22H31N7O3/c1-25-22(31)29-9-6-16(14-19(29)24-25)28-11-10-26(12-13-32-2)18-15-17(23-20(18)28)21(30)27-7-4-3-5-8-27/h6,9,14-15,19,23-24H,3-5,7-8,10-13H2,1-2H3
InChIKeyOOFHOHHOFPEPKN-UHFFFAOYSA-N
MW441.54 g/mol
LogP1.52
Rot. Bonds5

About 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 154994738) has the molecular formula C22H31N7O3 and a molecular weight of 441.54 g/mol. Its IUPAC name is 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID154994738
Molecular FormulaC22H31N7O3
Molecular Weight441.54 g/mol
Exact Mass441.25
IUPAC Name7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOCCN1CCN(C2=CC3NN(C)C(=O)N3C=C2)c2[nH]c(C(=O)N3CCCCC3)cc21
InChIInChI=1S/C22H31N7O3/c1-25-22(31)29-9-6-16(14-19(29)24-25)28-11-10-26(12-13-32-2)18-15-17(23-20(18)28)21(30)27-7-4-3-5-8-27/h6,9,14-15,19,23-24H,3-5,7-8,10-13H2,1-2H3
InChIKeyOOFHOHHOFPEPKN-UHFFFAOYSA-N
XLogP1.52
TPSA87.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 154994738) is 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is COCCN1CCN(C2=CC3NN(C)C(=O)N3C=C2)c2[nH]c(C(=O)N3CCCCC3)cc21.
What is the InChIKey of 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is OOFHOHHOFPEPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O3/c1-25-22(31)29-9-6-16(14-19(29)24-25)28-11-10-26(12-13-32-2)18-15-17(23-20(18)28)21(30)27-7-4-3-5-8-27/h6,9,14-15,19,23-24H,3-5,7-8,10-13H2,1-2H3.
What are the key properties of 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 441.54 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-methoxyethyl)-6-(piperidine-1-carbonyl)-3,5-dihydro-2H-pyrrolo[2,3-b]pyrazin-4-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 154994738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).