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

C18H21N3O2 — CID 134810565

IUPAC6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccccc3)n[nH]c2CN1CC1CCOCC1
InChIInChI=1S/C18H21N3O2/c22-17-10-15-16(12-21(17)11-13-6-8-23-9-7-13)19-20-18(15)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20)
InChIKeyBIMXQCYLQAJSJJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.39
Rot. Bonds3

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

6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810565) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810565
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccccc3)n[nH]c2CN1CC1CCOCC1
InChIInChI=1S/C18H21N3O2/c22-17-10-15-16(12-21(17)11-13-6-8-23-9-7-13)19-20-18(15)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20)
InChIKeyBIMXQCYLQAJSJJ-UHFFFAOYSA-N
XLogP2.39
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810565) is 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3ccccc3)n[nH]c2CN1CC1CCOCC1.
What is the InChIKey of 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is BIMXQCYLQAJSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17-10-15-16(12-21(17)11-13-6-8-23-9-7-13)19-20-18(15)14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20).
What are the key properties of 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 311.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-4-ylmethyl)-3-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).