6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C17H21N3O3 — CID 134810145

IUPAC6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCCN1Cc2[nH]nc(-c3cccc(COC)c3)c2CC1=O
InChIInChI=1S/C17H21N3O3/c1-22-7-6-20-10-15-14(9-16(20)21)17(19-18-15)13-5-3-4-12(8-13)11-23-2/h3-5,8H,6-7,9-11H2,1-2H3,(H,18,19)
InChIKeyUMFBJVFLPXKRKB-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.75
Rot. Bonds6

About 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810145) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810145
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCCN1Cc2[nH]nc(-c3cccc(COC)c3)c2CC1=O
InChIInChI=1S/C17H21N3O3/c1-22-7-6-20-10-15-14(9-16(20)21)17(19-18-15)13-5-3-4-12(8-13)11-23-2/h3-5,8H,6-7,9-11H2,1-2H3,(H,18,19)
InChIKeyUMFBJVFLPXKRKB-UHFFFAOYSA-N
XLogP1.75
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 134807169
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CID 134810171
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CID 45234451
CID 45234451
CID 71705414
CID 71705414
CID 71708321
CID 71708321
CID 75470375
CID 75470375
CID 75470410
CID 75470410
CID 134806495
CID 134806495
CID 134806846
CID 134806846
CID 134808921
CID 134808921
CID 134808932
CID 134808932
CID 134810304
CID 134810304

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810145) is 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCCN1Cc2[nH]nc(-c3cccc(COC)c3)c2CC1=O.
What is the InChIKey of 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is UMFBJVFLPXKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-22-7-6-20-10-15-14(9-16(20)21)17(19-18-15)13-5-3-4-12(8-13)11-23-2/h3-5,8H,6-7,9-11H2,1-2H3,(H,18,19).
What are the key properties of 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 315.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-3-[3-(methoxymethyl)phenyl]-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).