1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone

C18H24N4O2 — CID 118741007

IUPAC1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
SMILESCCOCC1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC
InChIInChI=1S/C18H24N4O2/c1-3-22-17-12-21(18(23)9-15-7-5-6-8-19-15)11-14(13-24-4-2)16(17)10-20-22/h5-8,10,14H,3-4,9,11-13H2,1-2H3
InChIKeyICRDXPRJAWIVNY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.00
Rot. Bonds6

About 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone

1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone (PubChem CID 118741007) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
PubChem CID118741007
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone
SMILESCCOCC1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC
InChIInChI=1S/C18H24N4O2/c1-3-22-17-12-21(18(23)9-15-7-5-6-8-19-15)11-14(13-24-4-2)16(17)10-20-22/h5-8,10,14H,3-4,9,11-13H2,1-2H3
InChIKeyICRDXPRJAWIVNY-UHFFFAOYSA-N
XLogP2.00
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone 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 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone (CID 118741007) is 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone is CCOCC1CN(C(=O)Cc2ccccn2)Cc2c1cnn2CC.
What is the InChIKey of 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
The InChIKey is ICRDXPRJAWIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-22-17-12-21(18(23)9-15-7-5-6-8-19-15)11-14(13-24-4-2)16(17)10-20-22/h5-8,10,14H,3-4,9,11-13H2,1-2H3.
What are the key properties of 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone?
1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone has a molecular weight of 328.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 118741007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).