4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

C23H21F3N8O2 — CID 10289106

IUPAC4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCN2CCc3ccc(OCC(F)(F)F)cc3C2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C23H21F3N8O2/c24-23(25,26)13-36-16-4-3-14-5-6-32(12-15(14)10-16)7-8-33-20-17(11-28-33)21-29-19(18-2-1-9-35-18)31-34(21)22(27)30-20/h1-4,9-11H,5-8,12-13H2,(H2,27,30)
InChIKeyIRFPOMJSUNAIFX-UHFFFAOYSA-N
MW498.47 g/mol
LogP3.32
Rot. Bonds6

About 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (PubChem CID 10289106) has the molecular formula C23H21F3N8O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID10289106
Molecular FormulaC23H21F3N8O2
Molecular Weight498.47 g/mol
Exact Mass498.17
IUPAC Name4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
SMILESNc1nc2c(cnn2CCN2CCc3ccc(OCC(F)(F)F)cc3C2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C23H21F3N8O2/c24-23(25,26)13-36-16-4-3-14-5-6-32(12-15(14)10-16)7-8-33-20-17(11-28-33)21-29-19(18-2-1-9-35-18)31-34(21)22(27)30-20/h1-4,9-11H,5-8,12-13H2,(H2,27,30)
InChIKeyIRFPOMJSUNAIFX-UHFFFAOYSA-N
XLogP3.32
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine with MolForge

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Related Compounds

Preladenant
CID 10117987
2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(3-(4-methoxyphenyl)propyl)-
CID 10668061
CID 9912318
CID 9912318
(11C)Sch 442416
CID 11794633
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
4-(Furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10246959
Desmethyl SCH 442416
CID 10362099
2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10737168
1-(2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 10791347
N-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-phenylacetamide
CID 11014188
4-(Furan-2-yl)-10-[2-(4-pyrazin-2-ylphenyl)ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
CID 21363905

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The IUPAC name of 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine (CID 10289106) is 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine.
What is the SMILES notation for 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The canonical SMILES for 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is Nc1nc2c(cnn2CCN2CCc3ccc(OCC(F)(F)F)cc3C2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
The InChIKey is IRFPOMJSUNAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8O2/c24-23(25,26)13-36-16-4-3-14-5-6-32(12-15(14)10-16)7-8-33-20-17(11-28-33)21-29-19(18-2-1-9-35-18)31-34(21)22(27)30-20/h1-4,9-11H,5-8,12-13H2,(H2,27,30).
What are the key properties of 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine?
4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine has a molecular weight of 498.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-10-[2-[7-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine is sourced from PubChem (CID 10289106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).