[6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H28N2O7 — CID 90859647

IUPAC[6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-n3cc(C)cn3)oc3c(OC(C)C)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C26H28N2O7/c1-14(2)34-25-18(30-4)9-8-17-21(26(35-23(17)25)28-13-15(3)12-27-28)22(29)16-10-19(31-5)24(33-7)20(11-16)32-6/h8-14H,1-7H3
InChIKeyLJKHJWOLNHJIBG-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.98
Rot. Bonds9

About [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 90859647) has the molecular formula C26H28N2O7 and a molecular weight of 480.52 g/mol. Its IUPAC name is [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID90859647
Molecular FormulaC26H28N2O7
Molecular Weight480.52 g/mol
Exact Mass480.19
IUPAC Name[6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-n3cc(C)cn3)oc3c(OC(C)C)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C26H28N2O7/c1-14(2)34-25-18(30-4)9-8-17-21(26(35-23(17)25)28-13-15(3)12-27-28)22(29)16-10-19(31-5)24(33-7)20(11-16)32-6/h8-14H,1-7H3
InChIKeyLJKHJWOLNHJIBG-UHFFFAOYSA-N
XLogP4.98
TPSA94.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[6-methoxy-2-methyl-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]oxyphosphinous acid
CID 144935289
[6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl] phosphate
CID 59576652
methyl 2-amino-2-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]acetate
CID 69328888
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
(2S)-2-amino-3-hydroxy-N-[6-methoxy-2-(1-methylpyrazol-4-yl)-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-7-yl]propanamide;hydrochloride
CID 57462252
(2-ethyl-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880187
CID 67221086
CID 67221086
[2-[bis(ethenyl)amino]-6-methoxy-7-methyl-1-benzofuran-3-yl]-(3,4-dimethoxy-5-methylphenyl)methanone
CID 143274528
(6-methoxy-2,7-dimethyl-1H-indol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 59138493
[5-(3,5-dimethylbenzoyl)-2,6-dimethoxynaphthalen-1-yl]-(3,5-dimethylphenyl)methanone
CID 132559325
(E)-3-[4-methoxy-2,3-di(propan-2-yloxy)phenyl]-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
CID 73056336
[7-hydroxy-6-methoxy-2-(pyridin-3-ylamino)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24880182

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 90859647) is [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-n3cc(C)cn3)oc3c(OC(C)C)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is LJKHJWOLNHJIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O7/c1-14(2)34-25-18(30-4)9-8-17-21(26(35-23(17)25)28-13-15(3)12-27-28)22(29)16-10-19(31-5)24(33-7)20(11-16)32-6/h8-14H,1-7H3.
What are the key properties of [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 480.52 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(4-methylpyrazol-1-yl)-7-propan-2-yloxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 90859647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).