5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]

C26H19F3N2O2S — CID 162599660

IUPAC5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]
SMILESCOc1ccc2c(n1)C1(CO2)c2ccccc2N(Cc2ccc(C(F)(F)F)s2)c2ccccc21
InChIInChI=1S/C26H19F3N2O2S/c1-32-23-13-11-21-24(30-23)25(15-33-21)17-6-2-4-8-19(17)31(20-9-5-3-7-18(20)25)14-16-10-12-22(34-16)26(27,28)29/h2-13H,14-15H2,1H3
InChIKeyMDBFBKXHDXPCFS-UHFFFAOYSA-N
MW480.51 g/mol
LogP6.55
Rot. Bonds3

About 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]

5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine] (PubChem CID 162599660) has the molecular formula C26H19F3N2O2S and a molecular weight of 480.51 g/mol. Its IUPAC name is 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine].

Molecular Properties

Compound Name5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]
PubChem CID162599660
Molecular FormulaC26H19F3N2O2S
Molecular Weight480.51 g/mol
Exact Mass480.11
IUPAC Name5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]
SMILESCOc1ccc2c(n1)C1(CO2)c2ccccc2N(Cc2ccc(C(F)(F)F)s2)c2ccccc21
InChIInChI=1S/C26H19F3N2O2S/c1-32-23-13-11-21-24(30-23)25(15-33-21)17-6-2-4-8-19(17)31(20-9-5-3-7-18(20)25)14-16-10-12-22(34-16)26(27,28)29/h2-13H,14-15H2,1H3
InChIKeyMDBFBKXHDXPCFS-UHFFFAOYSA-N
XLogP6.55
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]?
The IUPAC name of 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine] (CID 162599660) is 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine].
What is the SMILES notation for 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]?
The canonical SMILES for 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine] is COc1ccc2c(n1)C1(CO2)c2ccccc2N(Cc2ccc(C(F)(F)F)s2)c2ccccc21.
What is the InChIKey of 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]?
The InChIKey is MDBFBKXHDXPCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N2O2S/c1-32-23-13-11-21-24(30-23)25(15-33-21)17-6-2-4-8-19(17)31(20-9-5-3-7-18(20)25)14-16-10-12-22(34-16)26(27,28)29/h2-13H,14-15H2,1H3.
What are the key properties of 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine]?
5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine] has a molecular weight of 480.51 g/mol, XLogP of 6.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-10'-[[5-(trifluoromethyl)thiophen-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,9'-acridine] is sourced from PubChem (CID 162599660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).