1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone

C18H24N4O2 — CID 118741101

IUPAC1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCCOCC1CN(C(=O)Cc2ccccn2)Cc2cn(CC)nc21
InChIInChI=1S/C18H24N4O2/c1-3-22-12-14-10-21(11-15(13-24-4-2)18(14)20-22)17(23)9-16-7-5-6-8-19-16/h5-8,12,15H,3-4,9-11,13H2,1-2H3
InChIKeyMNCHMVUUBGJMBI-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.00
Rot. Bonds6

About 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone

1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone (PubChem CID 118741101) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
PubChem CID118741101
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCCOCC1CN(C(=O)Cc2ccccn2)Cc2cn(CC)nc21
InChIInChI=1S/C18H24N4O2/c1-3-22-12-14-10-21(11-15(13-24-4-2)18(14)20-22)17(23)9-16-7-5-6-8-19-16/h5-8,12,15H,3-4,9-11,13H2,1-2H3
InChIKeyMNCHMVUUBGJMBI-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

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone (CID 118741101) is 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone is CCOCC1CN(C(=O)Cc2ccccn2)Cc2cn(CC)nc21.
What is the InChIKey of 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The InChIKey is MNCHMVUUBGJMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-22-12-14-10-21(11-15(13-24-4-2)18(14)20-22)17(23)9-16-7-5-6-8-19-16/h5-8,12,15H,3-4,9-11,13H2,1-2H3.
What are the key properties of 1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
1-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-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-[7-(ethoxymethyl)-2-ethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 118741101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).