1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

C21H24N4O2 — CID 134810285

IUPAC1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCCn1c2c(c(=O)n1-c1ccccc1)CCN(Cc1cncc(OC)c1)C2
InChIInChI=1S/C21H24N4O2/c1-3-24-20-15-23(14-16-11-18(27-2)13-22-12-16)10-9-19(20)21(26)25(24)17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,14-15H2,1-2H3
InChIKeyXIMLAFOGOWMOIX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.62
Rot. Bonds5

About 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one

1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810285) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810285
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCCn1c2c(c(=O)n1-c1ccccc1)CCN(Cc1cncc(OC)c1)C2
InChIInChI=1S/C21H24N4O2/c1-3-24-20-15-23(14-16-11-18(27-2)13-22-12-16)10-9-19(20)21(26)25(24)17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,14-15H2,1-2H3
InChIKeyXIMLAFOGOWMOIX-UHFFFAOYSA-N
XLogP2.62
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-phenoxyacetyl)-2-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810111
2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810282
1-benzyl-2-(2-methoxyethyl)-6-[(2-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810321
2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810351
1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810107
1-ethyl-6-[(2-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810214
2-benzyl-1-[(4-methoxyphenyl)methyl]-6-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810222
1-(2-phenoxyethyl)-2-phenyl-6-(3-pyridin-3-ylpropanoyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810353
6-(2-phenoxyacetyl)-2-phenyl-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
CID 134810670
4-[(2Z,4E)-3-fluoro-5-methoxyhexa-2,4-dien-2-yl]-2-(2-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6-dione
CID 89564278
2-(5-Methoxy-3-pyridinyl)-10-[3-(trifluoromethyl)phenyl]-1,5-dihydropyrido[3,2-c][1,5]naphthyridin-9-one
CID 90097261
7-[(N-ethyl-4-fluoroanilino)methyl]-3-(5-methoxy-3-pyridinyl)-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118009416

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810285) is 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is CCn1c2c(c(=O)n1-c1ccccc1)CCN(Cc1cncc(OC)c1)C2.
What is the InChIKey of 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is XIMLAFOGOWMOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-24-20-15-23(14-16-11-18(27-2)13-22-12-16)10-9-19(20)21(26)25(24)17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,14-15H2,1-2H3.
What are the key properties of 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 364.45 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-2-phenyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).