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

C21H18F3N9O — CID 10174023

IUPAC4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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(cnn2CCN2CCc3nc(C(F)(F)F)ccc3C2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C21H18F3N9O/c22-21(23,24)16-4-3-12-11-31(6-5-14(12)27-16)7-8-32-18-13(10-26-32)19-28-17(15-2-1-9-34-15)30-33(19)20(25)29-18/h1-4,9-10H,5-8,11H2,(H2,25,29)
InChIKeyODSXUSBPNQVILJ-UHFFFAOYSA-N
MW469.43 g/mol
LogP2.79
Rot. Bonds4

About 4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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 10174023) has the molecular formula C21H18F3N9O and a molecular weight of 469.43 g/mol. Its IUPAC name is 4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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 CID10174023
Molecular FormulaC21H18F3N9O
Molecular Weight469.43 g/mol
Exact Mass469.16
IUPAC Name4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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(cnn2CCN2CCc3nc(C(F)(F)F)ccc3C2)c2nc(-c3ccco3)nn12
InChIInChI=1S/C21H18F3N9O/c22-21(23,24)16-4-3-12-11-31(6-5-14(12)27-16)7-8-32-18-13(10-26-32)19-28-17(15-2-1-9-34-15)30-33(19)20(25)29-18/h1-4,9-10H,5-8,11H2,(H2,25,29)
InChIKeyODSXUSBPNQVILJ-UHFFFAOYSA-N
XLogP2.79
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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
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
2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
(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
1-[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]-3-pyridin-4-ylurea;hydrochloride
CID 9887858
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
CID 9912318
CID 9912318
1-[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]-3-phenylurea
CID 9929470
3-[2-[4-(2,4-Difluorophenyl)piperazin-1-yl]ethyl]-8-(furan-2-yl)-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10161974
8-(Furan-2-yl)-3-[2-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 10203891
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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 10174023) is 4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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(cnn2CCN2CCc3nc(C(F)(F)F)ccc3C2)c2nc(-c3ccco3)nn12.
What is the InChIKey of 4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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 ODSXUSBPNQVILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N9O/c22-21(23,24)16-4-3-12-11-31(6-5-14(12)27-16)7-8-32-18-13(10-26-32)19-28-17(15-2-1-9-34-15)30-33(19)20(25)29-18/h1-4,9-10H,5-8,11H2,(H2,25,29).
What are the key properties of 4-(furan-2-yl)-10-[2-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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 469.43 g/mol, XLogP of 2.79, 4 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-[2-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-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 10174023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).