5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

C34H32F2N4O3 — CID 175635115

About 5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol

5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 175635115) has the molecular formula C34H32F2N4O3 and a molecular weight of 582.65 g/mol. Its IUPAC name is 5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 175635115
• Molecular Formula: C34H32F2N4O3
• Molecular Weight: 582.65 g/mol
• Exact Mass: 582.24
• IUPAC Name: 5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: CCc1c(F)ccc2cc(O)cc(-c3ncc4c(-c5cccc(O)c5)nc(OC[C@@]56CCCN5C[C@H](C)C6)nc4c3F)c12
• InChI: InChI=1S/C34H32F2N4O3/c1-3-24-27(35)9-8-20-12-23(42)14-25(28(20)24)31-29(36)32-26(16-37-31)30(21-6-4-7-22(41)13-21)38-33(39-32)43-18-34-10-5-11-40(34)17-19(2)15-34/h4,6-9,12-14,16,19,41-42H,3,5,10-11,15,17-18H2,1-2H3/t19-,34+/m1/s1
• InChIKey: CCJSNMJJZKWYHT-XRSWDHFMSA-N
• XLogP: 7.02
• TPSA: 91.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.65
LogP ≤ 5	7.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol (CID 175635115) is 5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol.

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

The canonical SMILES for 5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is CCc1c(F)ccc2cc(O)cc(-c3ncc4c(-c5cccc(O)c5)nc(OC[C@@]56CCCN5C[C@H](C)C6)nc4c3F)c12.

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

The InChIKey is CCJSNMJJZKWYHT-XRSWDHFMSA-N. The full InChI is InChI=1S/C34H32F2N4O3/c1-3-24-27(35)9-8-20-12-23(42)14-25(28(20)24)31-29(36)32-26(16-37-31)30(21-6-4-7-22(41)13-21)38-33(39-32)43-18-34-10-5-11-40(34)17-19(2)15-34/h4,6-9,12-14,16,19,41-42H,3,5,10-11,15,17-18H2,1-2H3/t19-,34+/m1/s1.

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

5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 582.65 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-6-fluoro-4-[8-fluoro-4-(3-hydroxyphenyl)-2-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 175635115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).