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

C25H22N4O2 — CID 134807424

IUPAC3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccccc3Oc3ccccc3)n[nH]c2CN1CCc1ccncc1
InChIInChI=1S/C25H22N4O2/c30-24-16-21-22(17-29(24)15-12-18-10-13-26-14-11-18)27-28-25(21)20-8-4-5-9-23(20)31-19-6-2-1-3-7-19/h1-11,13-14H,12,15-17H2,(H,27,28)
InChIKeySJDGFILAHHYHNJ-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.39
Rot. Bonds6

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

3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (PubChem CID 134807424) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.

Molecular Properties

Compound Name3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
PubChem CID134807424
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one
SMILESO=C1Cc2c(-c3ccccc3Oc3ccccc3)n[nH]c2CN1CCc1ccncc1
InChIInChI=1S/C25H22N4O2/c30-24-16-21-22(17-29(24)15-12-18-10-13-26-14-11-18)27-28-25(21)20-8-4-5-9-23(20)31-19-6-2-1-3-7-19/h1-11,13-14H,12,15-17H2,(H,27,28)
InChIKeySJDGFILAHHYHNJ-UHFFFAOYSA-N
XLogP4.39
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The IUPAC name of 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one (CID 134807424) is 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one.
What is the SMILES notation for 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The canonical SMILES for 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is O=C1Cc2c(-c3ccccc3Oc3ccccc3)n[nH]c2CN1CCc1ccncc1.
What is the InChIKey of 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
The InChIKey is SJDGFILAHHYHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-24-16-21-22(17-29(24)15-12-18-10-13-26-14-11-18)27-28-25(21)20-8-4-5-9-23(20)31-19-6-2-1-3-7-19/h1-11,13-14H,12,15-17H2,(H,27,28).
What are the key properties of 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one?
3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one has a molecular weight of 410.48 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyphenyl)-6-(2-pyridin-4-ylethyl)-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one is sourced from PubChem (CID 134807424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).