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

C17H22N4O2 — CID 118741102

IUPAC1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCCOCC1CN(C(=O)Cc2ccccn2)Cc2cn(C)nc21
InChIInChI=1S/C17H22N4O2/c1-3-23-12-14-11-21(10-13-9-20(2)19-17(13)14)16(22)8-15-6-4-5-7-18-15/h4-7,9,14H,3,8,10-12H2,1-2H3
InChIKeyFYWYZEFQGHNBCV-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.52
Rot. Bonds5

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

1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone (PubChem CID 118741102) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
PubChem CID118741102
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone
SMILESCCOCC1CN(C(=O)Cc2ccccn2)Cc2cn(C)nc21
InChIInChI=1S/C17H22N4O2/c1-3-23-12-14-11-21(10-13-9-20(2)19-17(13)14)16(22)8-15-6-4-5-7-18-15/h4-7,9,14H,3,8,10-12H2,1-2H3
InChIKeyFYWYZEFQGHNBCV-UHFFFAOYSA-N
XLogP1.52
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.52
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-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone (CID 118741102) is 1-[7-(ethoxymethyl)-2-methyl-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-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone is CCOCC1CN(C(=O)Cc2ccccn2)Cc2cn(C)nc21.
What is the InChIKey of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
The InChIKey is FYWYZEFQGHNBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-23-12-14-11-21(10-13-9-20(2)19-17(13)14)16(22)8-15-6-4-5-7-18-15/h4-7,9,14H,3,8,10-12H2,1-2H3.
What are the key properties of 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone?
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone has a molecular weight of 314.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 118741102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).