7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C15H20FN5O — CID 118739022

IUPAC7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCOCC1CN(c2ncc(F)cn2)Cc2cn(CC)nc21
InChIInChI=1S/C15H20FN5O/c1-3-21-9-11-7-20(15-17-5-13(16)6-18-15)8-12(10-22-4-2)14(11)19-21/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyXEYWSVGNBSLJFF-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.97
Rot. Bonds5

About 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 118739022) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID118739022
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCOCC1CN(c2ncc(F)cn2)Cc2cn(CC)nc21
InChIInChI=1S/C15H20FN5O/c1-3-21-9-11-7-20(15-17-5-13(16)6-18-15)8-12(10-22-4-2)14(11)19-21/h5-6,9,12H,3-4,7-8,10H2,1-2H3
InChIKeyXEYWSVGNBSLJFF-UHFFFAOYSA-N
XLogP1.97
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 118739022) is 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCOCC1CN(c2ncc(F)cn2)Cc2cn(CC)nc21.
What is the InChIKey of 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is XEYWSVGNBSLJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-3-21-9-11-7-20(15-17-5-13(16)6-18-15)8-12(10-22-4-2)14(11)19-21/h5-6,9,12H,3-4,7-8,10H2,1-2H3.
What are the key properties of 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 305.36 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethyl)-2-ethyl-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118739022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).