3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

C21H22N4O2 — CID 134810229

IUPAC3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(CCc2ccncc2)C3)c1
InChIInChI=1S/C21H22N4O2/c1-27-14-16-3-2-4-17(11-16)21-18-12-20(26)25(13-19(18)23-24-21)10-7-15-5-8-22-9-6-15/h2-6,8-9,11H,7,10,12-14H2,1H3,(H,23,24)
InChIKeyMZIFEUKUOLRMSH-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.75
Rot. Bonds6

About 3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one

3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810229) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810229
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESCOCc1cccc(-c2n[nH]c3c2CC(=O)N(CCc2ccncc2)C3)c1
InChIInChI=1S/C21H22N4O2/c1-27-14-16-3-2-4-17(11-16)21-18-12-20(26)25(13-19(18)23-24-21)10-7-15-5-8-22-9-6-15/h2-6,8-9,11H,7,10,12-14H2,1H3,(H,23,24)
InChIKeyMZIFEUKUOLRMSH-UHFFFAOYSA-N
XLogP2.75
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.75
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-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810229) is 3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is COCc1cccc(-c2n[nH]c3c2CC(=O)N(CCc2ccncc2)C3)c1.
What is the InChIKey of 3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is MZIFEUKUOLRMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-14-16-3-2-4-17(11-16)21-18-12-20(26)25(13-19(18)23-24-21)10-7-15-5-8-22-9-6-15/h2-6,8-9,11H,7,10,12-14H2,1H3,(H,23,24).
What are the key properties of 3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-[3-(methoxymethyl)phenyl]-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 362.43 g/mol, XLogP of 2.75, 6 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-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).