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

C16H21N5O2 — CID 118745146

IUPAC[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccncn2)Cc2cnn(CC)c21
InChIInChI=1S/C16H21N5O2/c1-3-21-15-12(7-19-21)8-20(9-13(15)10-23-4-2)16(22)14-5-6-17-11-18-14/h5-7,11,13H,3-4,8-10H2,1-2H3
InChIKeyFESJCSAJUYGJSW-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.47
Rot. Bonds5

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

[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 118745146) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID118745146
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCOCC1CN(C(=O)c2ccncn2)Cc2cnn(CC)c21
InChIInChI=1S/C16H21N5O2/c1-3-21-15-12(7-19-21)8-20(9-13(15)10-23-4-2)16(22)14-5-6-17-11-18-14/h5-7,11,13H,3-4,8-10H2,1-2H3
InChIKeyFESJCSAJUYGJSW-UHFFFAOYSA-N
XLogP1.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone 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-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone (CID 118745146) is [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is CCOCC1CN(C(=O)c2ccncn2)Cc2cnn(CC)c21.
What is the InChIKey of [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is FESJCSAJUYGJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-3-21-15-12(7-19-21)8-20(9-13(15)10-23-4-2)16(22)14-5-6-17-11-18-14/h5-7,11,13H,3-4,8-10H2,1-2H3.
What are the key properties of [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone?
[7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 315.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(ethoxymethyl)-1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 118745146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).