7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

C28H24F6N4O2 — CID 164534301

About 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine

7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (PubChem CID 164534301) has the molecular formula C28H24F6N4O2 and a molecular weight of 562.51 g/mol. Its IUPAC name is 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
• PubChem CID: 164534301
• Molecular Formula: C28H24F6N4O2
• Molecular Weight: 562.51 g/mol
• Exact Mass: 562.18
• IUPAC Name: 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
• SMILES: Fc1c(-c2cccc3cccc(C(F)F)c23)ncc2c(OCC(F)(F)F)nc(OCC34CCCN3CCC4)nc12
• InChI: InChI=1S/C28H24F6N4O2/c29-21-22(17-7-1-5-16-6-2-8-18(20(16)17)24(30)31)35-13-19-23(21)36-26(37-25(19)39-15-28(32,33)34)40-14-27-9-3-11-38(27)12-4-10-27/h1-2,5-8,13,24H,3-4,9-12,14-15H2
• InChIKey: IZUPBKBACVPJCA-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 60.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.51
LogP ≤ 5	6.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?

The IUPAC name of 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (CID 164534301) is 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.

What is the SMILES notation for 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?

The canonical SMILES for 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is Fc1c(-c2cccc3cccc(C(F)F)c23)ncc2c(OCC(F)(F)F)nc(OCC34CCCN3CCC4)nc12.

What is the InChIKey of 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?

The InChIKey is IZUPBKBACVPJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F6N4O2/c29-21-22(17-7-1-5-16-6-2-8-18(20(16)17)24(30)31)35-13-19-23(21)36-26(37-25(19)39-15-28(32,33)34)40-14-27-9-3-11-38(27)12-4-10-27/h1-2,5-8,13,24H,3-4,9-12,14-15H2.

What are the key properties of 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine?

7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine has a molecular weight of 562.51 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[8-(difluoromethyl)naphthalen-1-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 164534301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).