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

C19H18N4O — CID 134810359

IUPAC3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccccc3)n[nH]c2CN1CCc1ccncc1
InChIInChI=1S/C19H18N4O/c24-18-12-16-17(21-22-19(16)15-4-2-1-3-5-15)13-23(18)11-8-14-6-9-20-10-7-14/h1-7,9-10H,8,11-13H2,(H,21,22)
InChIKeyZMPLPXMKKYUWNO-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.60
Rot. Bonds4

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

3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134810359) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134810359
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccccc3)n[nH]c2CN1CCc1ccncc1
InChIInChI=1S/C19H18N4O/c24-18-12-16-17(21-22-19(16)15-4-2-1-3-5-15)13-23(18)11-8-14-6-9-20-10-7-14/h1-7,9-10H,8,11-13H2,(H,21,22)
InChIKeyZMPLPXMKKYUWNO-UHFFFAOYSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134810359) is 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3ccccc3)n[nH]c2CN1CCc1ccncc1.
What is the InChIKey of 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is ZMPLPXMKKYUWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-18-12-16-17(21-22-19(16)15-4-2-1-3-5-15)13-23(18)11-8-14-6-9-20-10-7-14/h1-7,9-10H,8,11-13H2,(H,21,22).
What are the key properties of 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 318.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134810359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).