2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide

C24H22FN3O7 — CID 11670245

IUPAC2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide
SMILESCOc1cc(C(=O)c2c(-c3cnn(CC(N)=O)c3)oc3c(F)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C24H22FN3O7/c1-31-15-6-5-14-19(21(30)12-7-16(32-2)24(34-4)17(8-12)33-3)22(35-23(14)20(15)25)13-9-27-28(10-13)11-18(26)29/h5-10H,11H2,1-4H3,(H2,26,29)
InChIKeyXNQOCLVMWKVRPR-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.19
Rot. Bonds9

About 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide

2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide (PubChem CID 11670245) has the molecular formula C24H22FN3O7 and a molecular weight of 483.45 g/mol. Its IUPAC name is 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide
PubChem CID11670245
Molecular FormulaC24H22FN3O7
Molecular Weight483.45 g/mol
Exact Mass483.14
IUPAC Name2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide
SMILESCOc1cc(C(=O)c2c(-c3cnn(CC(N)=O)c3)oc3c(F)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C24H22FN3O7/c1-31-15-6-5-14-19(21(30)12-7-16(32-2)24(34-4)17(8-12)33-3)22(35-23(14)20(15)25)13-9-27-28(10-13)11-18(26)29/h5-10H,11H2,1-4H3,(H2,26,29)
InChIKeyXNQOCLVMWKVRPR-UHFFFAOYSA-N
XLogP3.19
TPSA128.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide (CID 11670245) is 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide is COc1cc(C(=O)c2c(-c3cnn(CC(N)=O)c3)oc3c(F)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide?
The InChIKey is XNQOCLVMWKVRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O7/c1-31-15-6-5-14-19(21(30)12-7-16(32-2)24(34-4)17(8-12)33-3)22(35-23(14)20(15)25)13-9-27-28(10-13)11-18(26)29/h5-10H,11H2,1-4H3,(H2,26,29).
What are the key properties of 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide?
2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide has a molecular weight of 483.45 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-fluoro-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 11670245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).