3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one

C27H22N2O3 — CID 101031320

IUPAC3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one
SMILESO=C1C(c2ccccc2)C(O)(c2ccccn2)C(O)(c2ccccn2)C1c1ccccc1
InChIInChI=1S/C27H22N2O3/c30-25-23(19-11-3-1-4-12-19)26(31,21-15-7-9-17-28-21)27(32,22-16-8-10-18-29-22)24(25)20-13-5-2-6-14-20/h1-18,23-24,31-32H
InChIKeyZHUDIVDFOOLRDC-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.70
Rot. Bonds4

About 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one

3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one (PubChem CID 101031320) has the molecular formula C27H22N2O3 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one.

Molecular Properties

Compound Name3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one
PubChem CID101031320
Molecular FormulaC27H22N2O3
Molecular Weight422.48 g/mol
Exact Mass422.16
IUPAC Name3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one
SMILESO=C1C(c2ccccc2)C(O)(c2ccccn2)C(O)(c2ccccn2)C1c1ccccc1
InChIInChI=1S/C27H22N2O3/c30-25-23(19-11-3-1-4-12-19)26(31,21-15-7-9-17-28-21)27(32,22-16-8-10-18-29-22)24(25)20-13-5-2-6-14-20/h1-18,23-24,31-32H
InChIKeyZHUDIVDFOOLRDC-UHFFFAOYSA-N
XLogP3.70
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dihydroxyindene-1,3-dione;pyridine
CID 67634501
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
[(1R,2S,4S,6S)-2,4-dihydroxy-6-phenyl-2,4-dipyridin-2-ylcyclohexyl]-pyridin-2-ylmethanone
CID 102440258
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
(3-phenyl-1-pyridin-2-ylcyclobutyl)methanamine
CID 80521414
4-hydroxy-4-pyridin-2-ylcyclohexane-1-carbaldehyde
CID 170973042
3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one
CID 14915521
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
CID 163342206
3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 105359777
(1R,5S)-5-pyridin-2-yl-3-oxabicyclo[3.1.0]hexan-2-one
CID 40696693

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one?
The IUPAC name of 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one (CID 101031320) is 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one.
What is the SMILES notation for 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one?
The canonical SMILES for 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one is O=C1C(c2ccccc2)C(O)(c2ccccn2)C(O)(c2ccccn2)C1c1ccccc1.
What is the InChIKey of 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one?
The InChIKey is ZHUDIVDFOOLRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O3/c30-25-23(19-11-3-1-4-12-19)26(31,21-15-7-9-17-28-21)27(32,22-16-8-10-18-29-22)24(25)20-13-5-2-6-14-20/h1-18,23-24,31-32H.
What are the key properties of 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one?
3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one has a molecular weight of 422.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one is sourced from PubChem (CID 101031320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).