6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline

C34H37F6N5O3 — CID 168906543

About 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline

6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline (PubChem CID 168906543) has the molecular formula C34H37F6N5O3 and a molecular weight of 677.69 g/mol. Its IUPAC name is 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline.

Molecular Properties

• Compound Name: 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline
• PubChem CID: 168906543
• Molecular Formula: C34H37F6N5O3
• Molecular Weight: 677.69 g/mol
• Exact Mass: 677.28
• IUPAC Name: 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline
• SMILES: Cc1cc2c(cnn2C2CCCCO2)c(-c2c(F)cc3c(OC(C)(C)C)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1C(F)(F)F
• InChI: InChI=1S/C34H37F6N5O3/c1-18-12-23-21(15-41-45(23)24-8-5-6-11-46-24)25(27(18)34(38,39)40)26-22(36)13-20-29(28(26)37)42-31(43-30(20)48-32(2,3)4)47-17-33-9-7-10-44(33)16-19(35)14-33/h12-13,15,19,24H,5-11,14,16-17H2,1-4H3/t19-,24?,33+/m1/s1
• InChIKey: LMZBLTKMWZOMDJ-MEHVGWNVSA-N
• XLogP: 8.08
• TPSA: 74.53 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.69
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	0
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]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline?

The IUPAC name of 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline (CID 168906543) is 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]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]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline?

The canonical SMILES for 6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline is Cc1cc2c(cnn2C2CCCCO2)c(-c2c(F)cc3c(OC(C)(C)C)nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)c1C(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]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline?

The InChIKey is LMZBLTKMWZOMDJ-MEHVGWNVSA-N. The full InChI is InChI=1S/C34H37F6N5O3/c1-18-12-23-21(15-41-45(23)24-8-5-6-11-46-24)25(27(18)34(38,39)40)26-22(36)13-20-29(28(26)37)42-31(43-30(20)48-32(2,3)4)47-17-33-9-7-10-44(33)16-19(35)14-33/h12-13,15,19,24H,5-11,14,16-17H2,1-4H3/t19-,24?,33+/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]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline?

6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline has a molecular weight of 677.69 g/mol, XLogP of 8.08, 6 rotatable bonds, 0 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]-7-[6-methyl-1-(oxan-2-yl)-5-(trifluoromethyl)indazol-4-yl]-4-[(2-methylpropan-2-yl)oxy]quinazoline is sourced from PubChem (CID 168906543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).