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

C19H23N3O3 — CID 134810143

IUPAC3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccc(CO)cc3)n[nH]c2CN1CC1CCOCC1
InChIInChI=1S/C19H23N3O3/c23-12-14-1-3-15(4-2-14)19-16-9-18(24)22(11-17(16)20-21-19)10-13-5-7-25-8-6-13/h1-4,13,23H,5-12H2,(H,20,21)
InChIKeyDAIYCDSFMUIVAN-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.88
Rot. Bonds4

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

3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810143) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810143
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccc(CO)cc3)n[nH]c2CN1CC1CCOCC1
InChIInChI=1S/C19H23N3O3/c23-12-14-1-3-15(4-2-14)19-16-9-18(24)22(11-17(16)20-21-19)10-13-5-7-25-8-6-13/h1-4,13,23H,5-12H2,(H,20,21)
InChIKeyDAIYCDSFMUIVAN-UHFFFAOYSA-N
XLogP1.88
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810143) is 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3ccc(CO)cc3)n[nH]c2CN1CC1CCOCC1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is DAIYCDSFMUIVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-12-14-1-3-15(4-2-14)19-16-9-18(24)22(11-17(16)20-21-19)10-13-5-7-25-8-6-13/h1-4,13,23H,5-12H2,(H,20,21).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 341.41 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]-6-(oxan-4-ylmethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).