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

C15H21N5O — CID 118746836

IUPAC7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOCC1CN(c2ccncn2)Cc2cnn(CC)c21
InChIInChI=1S/C15H21N5O/c1-3-20-15-12(7-18-20)8-19(9-13(15)10-21-4-2)14-5-6-16-11-17-14/h5-7,11,13H,3-4,8-10H2,1-2H3
InChIKeyLBKZQQWXAMVSTE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.83
Rot. Bonds5

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

7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (PubChem CID 118746836) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
PubChem CID118746836
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
SMILESCCOCC1CN(c2ccncn2)Cc2cnn(CC)c21
InChIInChI=1S/C15H21N5O/c1-3-20-15-12(7-18-20)8-19(9-13(15)10-21-4-2)14-5-6-16-11-17-14/h5-7,11,13H,3-4,8-10H2,1-2H3
InChIKeyLBKZQQWXAMVSTE-UHFFFAOYSA-N
XLogP1.83
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The IUPAC name of 7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine (CID 118746836) is 7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine.
What is the SMILES notation for 7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The canonical SMILES for 7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is CCOCC1CN(c2ccncn2)Cc2cnn(CC)c21.
What is the InChIKey of 7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
The InChIKey is LBKZQQWXAMVSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-3-20-15-12(7-18-20)8-19(9-13(15)10-21-4-2)14-5-6-16-11-17-14/h5-7,11,13H,3-4,8-10H2,1-2H3.
What are the key properties of 7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine?
7-(ethoxymethyl)-1-ethyl-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine has a molecular weight of 287.37 g/mol, XLogP of 1.83, 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-5-pyrimidin-4-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine is sourced from PubChem (CID 118746836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).