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

C20H25N3O3 — CID 134810256

IUPAC3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)c1
InChIInChI=1S/C20H25N3O3/c1-25-13-15-3-2-4-16(9-15)20-17-10-19(24)23(12-18(17)21-22-20)11-14-5-7-26-8-6-14/h2-4,9,14H,5-8,10-13H2,1H3,(H,21,22)
InChIKeySLZAOPRYQLWUDF-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.53
Rot. Bonds5

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

3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810256) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810256
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)c1
InChIInChI=1S/C20H25N3O3/c1-25-13-15-3-2-4-16(9-15)20-17-10-19(24)23(12-18(17)21-22-20)11-14-5-7-26-8-6-14/h2-4,9,14H,5-8,10-13H2,1H3,(H,21,22)
InChIKeySLZAOPRYQLWUDF-UHFFFAOYSA-N
XLogP2.53
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810256) is 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCc1cccc(-c2n[nH]c3c2CC(=O)N(CC2CCOCC2)C3)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is SLZAOPRYQLWUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-13-15-3-2-4-16(9-15)20-17-10-19(24)23(12-18(17)21-22-20)11-14-5-7-26-8-6-14/h2-4,9,14H,5-8,10-13H2,1H3,(H,21,22).
What are the key properties of 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 355.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).