3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

C20H13F3N2O5 — CID 68707355

IUPAC3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESO=C1C(c2nc3c(cc2O)OCO3)c2ccccc2N1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C20H13F3N2O5/c21-20(22,23)15-6-5-10(30-15)8-25-12-4-2-1-3-11(12)16(19(25)27)17-13(26)7-14-18(24-17)29-9-28-14/h1-7,16,26H,8-9H2
InChIKeyDJVCDLDGDNILMA-UHFFFAOYSA-N
MW418.33 g/mol
LogP3.81
Rot. Bonds3

About 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one

3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (PubChem CID 68707355) has the molecular formula C20H13F3N2O5 and a molecular weight of 418.33 g/mol. Its IUPAC name is 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.

Molecular Properties

Compound Name3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
PubChem CID68707355
Molecular FormulaC20H13F3N2O5
Molecular Weight418.33 g/mol
Exact Mass418.08
IUPAC Name3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one
SMILESO=C1C(c2nc3c(cc2O)OCO3)c2ccccc2N1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C20H13F3N2O5/c21-20(22,23)15-6-5-10(30-15)8-25-12-4-2-1-3-11(12)16(19(25)27)17-13(26)7-14-18(24-17)29-9-28-14/h1-7,16,26H,8-9H2
InChIKeyDJVCDLDGDNILMA-UHFFFAOYSA-N
XLogP3.81
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The IUPAC name of 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one (CID 68707355) is 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one.
What is the SMILES notation for 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The canonical SMILES for 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is O=C1C(c2nc3c(cc2O)OCO3)c2ccccc2N1Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
The InChIKey is DJVCDLDGDNILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O5/c21-20(22,23)15-6-5-10(30-15)8-25-12-4-2-1-3-11(12)16(19(25)27)17-13(26)7-14-18(24-17)29-9-28-14/h1-7,16,26H,8-9H2.
What are the key properties of 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one?
3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one has a molecular weight of 418.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-[1,3]dioxolo[4,5-b]pyridin-5-yl)-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3H-indol-2-one is sourced from PubChem (CID 68707355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).