2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

C76H87ClF8N16O16S2 — CID 167573399

About 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride

2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (PubChem CID 167573399) has the molecular formula C76H87ClF8N16O16S2 and a molecular weight of 1732.20 g/mol. Its IUPAC name is 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

• Compound Name: 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• PubChem CID: 167573399
• Molecular Formula: C76H87ClF8N16O16S2
• Molecular Weight: 1732.20 g/mol
• Exact Mass: 1730.55
• IUPAC Name: 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride
• SMILES: CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2cc3c(cn12)OCC3.CCOC(=O)c1c(CC)nc2cc3c(cn12)OCC3.CCc1nc2cc3c(cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)OCC3.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.Nc1cc2c(cn1)OCC2
• InChI: InChI=1S/C23H22F4N6O4S.2C14H16N2O3.C11H12F4N4O2S.C7H8N2O.C7H12O3.ClH/c1-2-17-21(32-12-19-15(5-8-37-19)10-20(32)30-17)22(34)28-11-14-3-4-18(16(24)9-14)33-7-6-31(13-29-33)38(35,36)23(25,26)27;2*1-3-10-13(14(17)18-4-2)16-8-11-9(5-6-19-11)7-12(16)15-10;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;8-7-3-5-1-2-10-6(5)4-9-7;1-3-6(8)5-7(9)10-4-2;/h3-4,9-10,12-13H,2,5-8,11H2,1H3,(H,28,34);2*7-8H,3-6H2,1-2H3;1-2,5,7H,3-4,6,16H2;3-4H,1-2H2,(H2,8,9);3-5H2,1-2H3;1H
• InChIKey: JPPOUDUNOJTPOM-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 384.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1732.20
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The IUPAC name of 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride (CID 167573399) is 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride.

What is the SMILES notation for 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The canonical SMILES for 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is CCOC(=O)CC(=O)CC.CCOC(=O)c1c(CC)nc2cc3c(cn12)OCC3.CCOC(=O)c1c(CC)nc2cc3c(cn12)OCC3.CCc1nc2cc3c(cn2c1C(=O)NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1)OCC3.Cl.NCc1ccc(N2CCN(S(=O)(=O)C(F)(F)F)C=N2)c(F)c1.Nc1cc2c(cn1)OCC2.

What is the InChIKey of 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

The InChIKey is JPPOUDUNOJTPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N6O4S.2C14H16N2O3.C11H12F4N4O2S.C7H8N2O.C7H12O3.ClH/c1-2-17-21(32-12-19-15(5-8-37-19)10-20(32)30-17)22(34)28-11-14-3-4-18(16(24)9-14)33-7-6-31(13-29-33)38(35,36)23(25,26)27;2*1-3-10-13(14(17)18-4-2)16-8-11-9(5-6-19-11)7-12(16)15-10;12-9-5-8(6-16)1-2-10(9)19-4-3-18(7-17-19)22(20,21)11(13,14)15;8-7-3-5-1-2-10-6(5)4-9-7;1-3-6(8)5-7(9)10-4-2;/h3-4,9-10,12-13H,2,5-8,11H2,1H3,(H,28,34);2*7-8H,3-6H2,1-2H3;1-2,5,7H,3-4,6,16H2;3-4H,1-2H2,(H2,8,9);3-5H2,1-2H3;1H.

What are the key properties of 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride?

2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride has a molecular weight of 1732.20 g/mol, XLogP of 9.97, 19 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydrofuro[2,3-c]pyridin-5-amine;bis(ethyl 11-ethyl-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxylate);11-ethyl-N-[[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methyl]-4-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide;ethyl 3-oxopentanoate;[3-fluoro-4-[4-(trifluoromethylsulfonyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 167573399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).