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

C23H28N4O3 — CID 134810107

IUPAC1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOCCn1c(=O)c2c(n1Cc1ccccc1)CN(Cc1cncc(OC)c1)CC2
InChIInChI=1S/C23H28N4O3/c1-29-11-10-26-23(28)21-8-9-25(15-19-12-20(30-2)14-24-13-19)17-22(21)27(26)16-18-6-4-3-5-7-18/h3-7,12-14H,8-11,15-17H2,1-2H3
InChIKeyKNXRLKYFPIDICC-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.31
Rot. Bonds8

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

1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 134810107) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID134810107
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one
SMILESCOCCn1c(=O)c2c(n1Cc1ccccc1)CN(Cc1cncc(OC)c1)CC2
InChIInChI=1S/C23H28N4O3/c1-29-11-10-26-23(28)21-8-9-25(15-19-12-20(30-2)14-24-13-19)17-22(21)27(26)16-18-6-4-3-5-7-18/h3-7,12-14H,8-11,15-17H2,1-2H3
InChIKeyKNXRLKYFPIDICC-UHFFFAOYSA-N
XLogP2.31
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one (CID 134810107) is 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is COCCn1c(=O)c2c(n1Cc1ccccc1)CN(Cc1cncc(OC)c1)CC2.
What is the InChIKey of 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is KNXRLKYFPIDICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-29-11-10-26-23(28)21-8-9-25(15-19-12-20(30-2)14-24-13-19)17-22(21)27(26)16-18-6-4-3-5-7-18/h3-7,12-14H,8-11,15-17H2,1-2H3.
What are the key properties of 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one?
1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 408.50 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-methoxyethyl)-6-[(5-methoxy-3-pyridinyl)methyl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 134810107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).