5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one

C26H23N3O6 — CID 164618346

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
SMILESO=C(c1ccccn1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
InChIInChI=1S/C26H23N3O6/c30-17-6-4-16(5-7-17)23-14-22(33)24-21(32)13-20(31)18(25(24)35-23)15-28-9-11-29(12-10-28)26(34)19-3-1-2-8-27-19/h1-8,13-14,30-32H,9-12,15H2
InChIKeyYBFDJRDCTPQNDP-UHFFFAOYSA-N
MW473.49 g/mol
LogP2.93
Rot. Bonds4

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one (PubChem CID 164618346) has the molecular formula C26H23N3O6 and a molecular weight of 473.49 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
PubChem CID164618346
Molecular FormulaC26H23N3O6
Molecular Weight473.49 g/mol
Exact Mass473.16
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one
SMILESO=C(c1ccccn1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1
InChIInChI=1S/C26H23N3O6/c30-17-6-4-16(5-7-17)23-14-22(33)24-21(32)13-20(31)18(25(24)35-23)15-28-9-11-29(12-10-28)26(34)19-3-1-2-8-27-19/h1-8,13-14,30-32H,9-12,15H2
InChIKeyYBFDJRDCTPQNDP-UHFFFAOYSA-N
XLogP2.93
TPSA127.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

Osivelotor
CID 146567655
1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
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CID 168277842
[7-hydroxy-3-(4-hydroxyphenyl)-2H-chromen-4-yl]-[3-methyl-4-[2-(8H-1,7-naphthyridin-7-yl)ethoxy]phenyl]methanone
CID 168292784
SM 15178
CID 3081307
7-Hydroxy-2-methyl-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-one
CID 5413051
6-[4-(4-Acetyl-3-hydroxy-2-propyl-phenoxymethyl)-phenoxy]-nicotinic acid
CID 59599515
Spindlactone B
CID 72192437
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]chromen-4-one
CID 164613047
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-3-carbonyl)piperazin-1-yl]methyl]chromen-4-one
CID 164618315
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-4-carbonyl)piperazin-1-yl]methyl]chromen-4-one
CID 164622791
[3-Hydroxy-4-(2-pyridin-2-ylacetyl)phenyl] acetate
CID 854899

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one (CID 164618346) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one is O=C(c1ccccn1)N1CCN(Cc2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)CC1.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one?
The InChIKey is YBFDJRDCTPQNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6/c30-17-6-4-16(5-7-17)23-14-22(33)24-21(32)13-20(31)18(25(24)35-23)15-28-9-11-29(12-10-28)26(34)19-3-1-2-8-27-19/h1-8,13-14,30-32H,9-12,15H2.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one has a molecular weight of 473.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[[4-(pyridine-2-carbonyl)piperazin-1-yl]methyl]chromen-4-one is sourced from PubChem (CID 164618346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).