5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one

C24H24N2O7 — CID 71559549

IUPAC5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c(-c2cc(=O)c3c(OC)cc(OC)c(-c4ccnn4C)c3o2)c(OC)c1
InChIInChI=1S/C24H24N2O7/c1-26-14(7-8-25-26)21-18(31-5)12-19(32-6)22-15(27)11-20(33-24(21)22)23-16(29-3)9-13(28-2)10-17(23)30-4/h7-12H,1-6H3
InChIKeyDVUZTDXPUQUBHJ-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.90
Rot. Bonds7

About 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one

5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one (PubChem CID 71559549) has the molecular formula C24H24N2O7 and a molecular weight of 452.46 g/mol. Its IUPAC name is 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one
PubChem CID71559549
Molecular FormulaC24H24N2O7
Molecular Weight452.46 g/mol
Exact Mass452.16
IUPAC Name5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one
SMILESCOc1cc(OC)c(-c2cc(=O)c3c(OC)cc(OC)c(-c4ccnn4C)c3o2)c(OC)c1
InChIInChI=1S/C24H24N2O7/c1-26-14(7-8-25-26)21-18(31-5)12-19(32-6)22-15(27)11-20(33-24(21)22)23-16(29-3)9-13(28-2)10-17(23)30-4/h7-12H,1-6H3
InChIKeyDVUZTDXPUQUBHJ-UHFFFAOYSA-N
XLogP3.90
TPSA94.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one?
The IUPAC name of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one (CID 71559549) is 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one?
The canonical SMILES for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one is COc1cc(OC)c(-c2cc(=O)c3c(OC)cc(OC)c(-c4ccnn4C)c3o2)c(OC)c1.
What is the InChIKey of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one?
The InChIKey is DVUZTDXPUQUBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O7/c1-26-14(7-8-25-26)21-18(31-5)12-19(32-6)22-15(27)11-20(33-24(21)22)23-16(29-3)9-13(28-2)10-17(23)30-4/h7-12H,1-6H3.
What are the key properties of 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one?
5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one has a molecular weight of 452.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-8-(2-methylpyrazol-3-yl)-2-(2,4,6-trimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 71559549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).