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

C22H26N4O2 — CID 134810282

IUPAC2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCCn1c2c(c(=O)n1Cc1ccccc1)CCN(Cc1cncc(OC)c1)C2
InChIInChI=1S/C22H26N4O2/c1-3-25-21-16-24(14-18-11-19(28-2)13-23-12-18)10-9-20(21)22(27)26(25)15-17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,14-16H2,1-2H3
InChIKeyLERHVVGMKKLBGV-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.68
Rot. Bonds6

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

2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810282) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810282
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCCn1c2c(c(=O)n1Cc1ccccc1)CCN(Cc1cncc(OC)c1)C2
InChIInChI=1S/C22H26N4O2/c1-3-25-21-16-24(14-18-11-19(28-2)13-23-12-18)10-9-20(21)22(27)26(25)15-17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,14-16H2,1-2H3
InChIKeyLERHVVGMKKLBGV-UHFFFAOYSA-N
XLogP2.68
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810282) is 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is CCn1c2c(c(=O)n1Cc1ccccc1)CCN(Cc1cncc(OC)c1)C2.
What is the InChIKey of 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is LERHVVGMKKLBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-3-25-21-16-24(14-18-11-19(28-2)13-23-12-18)10-9-20(21)22(27)26(25)15-17-7-5-4-6-8-17/h4-8,11-13H,3,9-10,14-16H2,1-2H3.
What are the key properties of 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 378.48 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-ethyl-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).