6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid

C31H31F11N6O4 — CID 175974647

About 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid

6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 175974647) has the molecular formula C31H31F11N6O4 and a molecular weight of 760.60 g/mol. Its IUPAC name is 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
• PubChem CID: 175974647
• Molecular Formula: C31H31F11N6O4
• Molecular Weight: 760.60 g/mol
• Exact Mass: 760.22
• IUPAC Name: 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
• SMILES: COc1c(F)c(-c2nc(N)cc(C)c2C(F)(F)F)c(F)c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc(N3CCCC(F)(F)C3)c12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C29H30F8N6O2.C2HF3O2/c1-14-9-16(38)39-22(19(14)29(35,36)37)17-20(31)23-18(24(44-2)21(17)32)25(42-7-4-6-28(33,34)12-42)41-26(40-23)45-13-27-5-3-8-43(27)11-15(30)10-27;3-2(4,5)1(6)7/h9,15H,3-8,10-13H2,1-2H3,(H2,38,39);(H,6,7)/t15-,27+;/m1./s1
• InChIKey: FAVXQQLYCIZWQM-HDJRMYBYSA-N
• XLogP: 6.71
• TPSA: 126.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.60
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?

The IUPAC name of 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid (CID 175974647) is 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?

The canonical SMILES for 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid is COc1c(F)c(-c2nc(N)cc(C)c2C(F)(F)F)c(F)c2nc(OC[C@@]34CCCN3C[C@H](F)C4)nc(N3CCCC(F)(F)C3)c12.O=C(O)C(F)(F)F.

What is the InChIKey of 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?

The InChIKey is FAVXQQLYCIZWQM-HDJRMYBYSA-N. The full InChI is InChI=1S/C29H30F8N6O2.C2HF3O2/c1-14-9-16(38)39-22(19(14)29(35,36)37)17-20(31)23-18(24(44-2)21(17)32)25(42-7-4-6-28(33,34)12-42)41-26(40-23)45-13-27-5-3-8-43(27)11-15(30)10-27;3-2(4,5)1(6)7/h9,15H,3-8,10-13H2,1-2H3,(H2,38,39);(H,6,7)/t15-,27+;/m1./s1.

What are the key properties of 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?

6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 760.60 g/mol, XLogP of 6.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(3,3-difluoropiperidin-1-yl)-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-5-methoxyquinazolin-7-yl]-4-methyl-5-(trifluoromethyl)pyridin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175974647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).