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

C27H23F5N4O2 — CID 175977921

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

8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (PubChem CID 175977921) has the molecular formula C27H23F5N4O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is 8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.

Molecular Properties

• Compound Name: 8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
• PubChem CID: 175977921
• Molecular Formula: C27H23F5N4O2
• Molecular Weight: 530.50 g/mol
• Exact Mass: 530.17
• IUPAC Name: 8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine
• SMILES: Fc1c(-c2cccc3ccccc23)ncc2c(OCC(F)(F)F)nc(OC[C@@]34CCCN3C[C@H](F)C4)nc12
• InChI: InChI=1S/C27H23F5N4O2/c28-17-11-26(9-4-10-36(26)13-17)14-38-25-34-23-20(24(35-25)37-15-27(30,31)32)12-33-22(21(23)29)19-8-3-6-16-5-1-2-7-18(16)19/h1-3,5-8,12,17H,4,9-11,13-15H2/t17-,26+/m1/s1
• InChIKey: QLUXPRNFDUSEQX-QUGAMOGWSA-N
• XLogP: 5.88
• TPSA: 60.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.50
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine (CID 175977921) is 8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine.

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

The canonical SMILES for 8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is Fc1c(-c2cccc3ccccc23)ncc2c(OCC(F)(F)F)nc(OC[C@@]34CCCN3C[C@H](F)C4)nc12.

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

The InChIKey is QLUXPRNFDUSEQX-QUGAMOGWSA-N. The full InChI is InChI=1S/C27H23F5N4O2/c28-17-11-26(9-4-10-36(26)13-17)14-38-25-34-23-20(24(35-25)37-15-27(30,31)32)12-33-22(21(23)29)19-8-3-6-16-5-1-2-7-18(16)19/h1-3,5-8,12,17H,4,9-11,13-15H2/t17-,26+/m1/s1.

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

8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine has a molecular weight of 530.50 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-7-naphthalen-1-yl-4-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 175977921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).