17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene

C36H37F4N5O2 — CID 178018006

About 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene

17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene (PubChem CID 178018006) has the molecular formula C36H37F4N5O2 and a molecular weight of 647.72 g/mol. Its IUPAC name is 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene.

Molecular Properties

• Compound Name: 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene
• PubChem CID: 178018006
• Molecular Formula: C36H37F4N5O2
• Molecular Weight: 647.72 g/mol
• Exact Mass: 647.29
• IUPAC Name: 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene
• SMILES: Fc1ccc2cccc3c2c1CCOCC1(F)CC2(CCCN(C2)c2nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c-3ncc24)C1
• InChI: InChI=1S/C36H37F4N5O2/c37-23-14-36(10-3-12-45(36)16-23)21-47-33-42-31-26-15-41-30(29(31)39)25-5-1-4-22-6-7-27(38)24(28(22)25)8-13-46-20-35(40)17-34(18-35)9-2-11-44(19-34)32(26)43-33/h1,4-7,15,23H,2-3,8-14,16-21H2/t23-,34?,35?,36+/m1/s1
• InChIKey: AIIDAJOVQUQGCK-UASQGTCESA-N
• XLogP: 6.74
• TPSA: 63.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	647.72
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene?

The IUPAC name of 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene (CID 178018006) is 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene.

What is the SMILES notation for 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene?

The canonical SMILES for 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene is Fc1ccc2cccc3c2c1CCOCC1(F)CC2(CCCN(C2)c2nc(OC[C@@]45CCCN4C[C@H](F)C5)nc4c(F)c-3ncc24)C1.

What is the InChIKey of 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene?

The InChIKey is AIIDAJOVQUQGCK-UASQGTCESA-N. The full InChI is InChI=1S/C36H37F4N5O2/c37-23-14-36(10-3-12-45(36)16-23)21-47-33-42-31-26-15-41-30(29(31)39)25-5-1-4-22-6-7-27(38)24(28(22)25)8-13-46-20-35(40)17-34(18-35)9-2-11-44(19-34)32(26)43-33/h1,4-7,15,23H,2-3,8-14,16-21H2/t23-,34?,35?,36+/m1/s1.

What are the key properties of 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene?

17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene has a molecular weight of 647.72 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 17,23,33-trifluoro-8-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-19-oxa-3,7,9,11-tetrazaheptacyclo[20.7.1.12,6.111,15.115,17.05,10.026,30]tritriaconta-1(29),2,4,6(33),7,9,22,24,26(30),27-decaene is sourced from PubChem (CID 178018006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).