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

C20H19N3O2 — CID 134807154

IUPAC3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(c2ccccc2)C3)c1
InChIInChI=1S/C20H19N3O2/c1-25-13-14-6-5-7-15(10-14)20-17-11-19(24)23(12-18(17)21-22-20)16-8-3-2-4-9-16/h2-10H,11-13H2,1H3,(H,21,22)
InChIKeyBOIUAOUOEJEUAE-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.31
Rot. Bonds4

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

3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134807154) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134807154
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(c2ccccc2)C3)c1
InChIInChI=1S/C20H19N3O2/c1-25-13-14-6-5-7-15(10-14)20-17-11-19(24)23(12-18(17)21-22-20)16-8-3-2-4-9-16/h2-10H,11-13H2,1H3,(H,21,22)
InChIKeyBOIUAOUOEJEUAE-UHFFFAOYSA-N
XLogP3.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134807154) is 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCc1cccc(-c2n[nH]c3c2CC(=O)N(c2ccccc2)C3)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is BOIUAOUOEJEUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-13-14-6-5-7-15(10-14)20-17-11-19(24)23(12-18(17)21-22-20)16-8-3-2-4-9-16/h2-10H,11-13H2,1H3,(H,21,22).
What are the key properties of 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 333.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)phenyl]-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134807154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).