4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one

C23H17N3O3 — CID 135936900

IUPAC4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C1=NN(c2ccccc2)C(c2cccnc2)C1
InChIInChI=1S/C23H17N3O3/c27-22-17-10-4-5-11-20(17)29-23(28)21(22)18-13-19(15-7-6-12-24-14-15)26(25-18)16-8-2-1-3-9-16/h1-12,14,19,27H,13H2
InChIKeySAGYZRUXMAOEQJ-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.25
Rot. Bonds3

About 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one

4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one (PubChem CID 135936900) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one
PubChem CID135936900
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2c(O)c1C1=NN(c2ccccc2)C(c2cccnc2)C1
InChIInChI=1S/C23H17N3O3/c27-22-17-10-4-5-11-20(17)29-23(28)21(22)18-13-19(15-7-6-12-24-14-15)26(25-18)16-8-2-1-3-9-16/h1-12,14,19,27H,13H2
InChIKeySAGYZRUXMAOEQJ-UHFFFAOYSA-N
XLogP4.25
TPSA78.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-[3-(2-hydroxy-3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]chromen-2-one
CID 137242197
3-[(3R)-3-(4-ethoxy-3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-hydroxychromen-2-one
CID 136716432
3-[(3S)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-hydroxy-1-methylquinolin-2-one
CID 135768068
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
3-[(3S)-3-(1,3-benzodioxol-5-yl)-2-phenyl-3,4-dihydropyrazol-5-yl]-4-hydroxy-1-methylquinolin-2-one
CID 135768084
(4-hydroxy-2-oxochromen-3-yl)-phenyliodanium
CID 54735251
N-[(4-hydroxy-2-oxochromen-3-yl)methyl]pyridine-3-carboxamide
CID 54703150
6-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenalene-1,3-dione
CID 20685192
4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile
CID 10043703
3-[2-acetyl-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-5-yl]-7-(dimethylamino)-4-hydroxychromen-2-one
CID 136669533
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one (CID 135936900) is 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one is O=c1oc2ccccc2c(O)c1C1=NN(c2ccccc2)C(c2cccnc2)C1.
What is the InChIKey of 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one?
The InChIKey is SAGYZRUXMAOEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-22-17-10-4-5-11-20(17)29-23(28)21(22)18-13-19(15-7-6-12-24-14-15)26(25-18)16-8-2-1-3-9-16/h1-12,14,19,27H,13H2.
What are the key properties of 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one?
4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one has a molecular weight of 383.41 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-phenyl-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl)chromen-2-one is sourced from PubChem (CID 135936900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).