6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline

C32H33F6N7O2 — CID 171769981

About 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline

6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline (PubChem CID 171769981) has the molecular formula C32H33F6N7O2 and a molecular weight of 661.65 g/mol. Its IUPAC name is 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline.

Molecular Properties

• Compound Name: 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline
• PubChem CID: 171769981
• Molecular Formula: C32H33F6N7O2
• Molecular Weight: 661.65 g/mol
• Exact Mass: 661.26
• IUPAC Name: 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline
• SMILES: Cc1cc2[nH]ncc2c(-c2c(F)cc3c(N4C[C@H]5CC[C@@](C)(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1OC(F)(F)F
• InChI: InChI=1S/C32H33F6N7O2/c1-16-8-22-20(11-39-43-22)23(27(16)47-32(36,37)38)24-21(34)9-19-26(25(24)35)40-29(46-15-31-5-3-7-45(31)12-17(33)10-31)41-28(19)44-13-18-4-6-30(2,14-44)42-18/h8-9,11,17-18,42H,3-7,10,12-15H2,1-2H3,(H,39,43)/t17-,18-,30+,31+/m1/s1
• InChIKey: YZHWOHIUVDAPAR-GQGQLXOZSA-N
• XLogP: 5.94
• TPSA: 91.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	661.65
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline?

The IUPAC name of 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline (CID 171769981) is 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline.

What is the SMILES notation for 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline?

The canonical SMILES for 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline is Cc1cc2[nH]ncc2c(-c2c(F)cc3c(N4C[C@H]5CC[C@@](C)(C4)N5)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1OC(F)(F)F.

What is the InChIKey of 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline?

The InChIKey is YZHWOHIUVDAPAR-GQGQLXOZSA-N. The full InChI is InChI=1S/C32H33F6N7O2/c1-16-8-22-20(11-39-43-22)23(27(16)47-32(36,37)38)24-21(34)9-19-26(25(24)35)40-29(46-15-31-5-3-7-45(31)12-17(33)10-31)41-28(19)44-13-18-4-6-30(2,14-44)42-18/h8-9,11,17-18,42H,3-7,10,12-15H2,1-2H3,(H,39,43)/t17-,18-,30+,31+/m1/s1.

What are the key properties of 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline?

6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline has a molecular weight of 661.65 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-4-[(1S,5R)-1-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-[6-methyl-5-(trifluoromethoxy)-1H-indazol-4-yl]quinazoline is sourced from PubChem (CID 171769981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).