[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone

C16H20N4O2 — CID 118741105

IUPAC[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)c1ccccn1)C2
InChIInChI=1S/C16H20N4O2/c1-3-20-10-12-8-19(9-13(11-22-2)15(12)18-20)16(21)14-6-4-5-7-17-14/h4-7,10,13H,3,8-9,11H2,1-2H3
InChIKeyQUPGINCVTNUEBR-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.68
Rot. Bonds4

About [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone

[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (PubChem CID 118741105) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
PubChem CID118741105
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
SMILESCCn1cc2c(n1)C(COC)CN(C(=O)c1ccccn1)C2
InChIInChI=1S/C16H20N4O2/c1-3-20-10-12-8-19(9-13(11-22-2)15(12)18-20)16(21)14-6-4-5-7-17-14/h4-7,10,13H,3,8-9,11H2,1-2H3
InChIKeyQUPGINCVTNUEBR-UHFFFAOYSA-N
XLogP1.68
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The IUPAC name of [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone (CID 118741105) is [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is CCn1cc2c(n1)C(COC)CN(C(=O)c1ccccn1)C2.
What is the InChIKey of [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
The InChIKey is QUPGINCVTNUEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-20-10-12-8-19(9-13(11-22-2)15(12)18-20)16(21)14-6-4-5-7-17-14/h4-7,10,13H,3,8-9,11H2,1-2H3.
What are the key properties of [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone?
[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone has a molecular weight of 300.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 118741105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).