5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide

C24H27N3O7 — CID 10162231

IUPAC5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3OC)CCC4(C)C)o2)c(OC)n1
InChIInChI=1S/C24H27N3O7/c1-24(2)10-9-13-11-16(29-3)17(12-14(13)24)34-18-8-7-15(33-18)20(28)25-19-21(30-4)26-23(32-6)27-22(19)31-5/h7-8,11-12H,9-10H2,1-6H3,(H,25,28)
InChIKeyCOWKPGOCYZHEOS-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.37
Rot. Bonds8

About 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide

5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide (PubChem CID 10162231) has the molecular formula C24H27N3O7 and a molecular weight of 469.49 g/mol. Its IUPAC name is 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
PubChem CID10162231
Molecular FormulaC24H27N3O7
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Name5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide
SMILESCOc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3OC)CCC4(C)C)o2)c(OC)n1
InChIInChI=1S/C24H27N3O7/c1-24(2)10-9-13-11-16(29-3)17(12-14(13)24)34-18-8-7-15(33-18)20(28)25-19-21(30-4)26-23(32-6)27-22(19)31-5/h7-8,11-12H,9-10H2,1-6H3,(H,25,28)
InChIKeyCOWKPGOCYZHEOS-UHFFFAOYSA-N
XLogP4.37
TPSA114.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The IUPAC name of 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide (CID 10162231) is 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The canonical SMILES for 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide is COc1nc(OC)c(NC(=O)c2ccc(Oc3cc4c(cc3OC)CCC4(C)C)o2)c(OC)n1.
What is the InChIKey of 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
The InChIKey is COWKPGOCYZHEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7/c1-24(2)10-9-13-11-16(29-3)17(12-14(13)24)34-18-8-7-15(33-18)20(28)25-19-21(30-4)26-23(32-6)27-22(19)31-5/h7-8,11-12H,9-10H2,1-6H3,(H,25,28).
What are the key properties of 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide?
5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-N-(2,4,6-trimethoxypyrimidin-5-yl)furan-2-carboxamide is sourced from PubChem (CID 10162231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).