6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol

C34H43N5O2 — CID 164799155

About 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol

6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol (PubChem CID 164799155) has the molecular formula C34H43N5O2 and a molecular weight of 553.75 g/mol. Its IUPAC name is 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

• Compound Name: 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol
• PubChem CID: 164799155
• Molecular Formula: C34H43N5O2
• Molecular Weight: 553.75 g/mol
• Exact Mass: 553.34
• IUPAC Name: 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol
• SMILES: CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CC5CC(O)CC4C5)C3)c12
• InChI: InChI=1S/C34H43N5O2/c1-2-24-7-3-8-25-9-4-10-30(31(24)25)37-16-11-28-29(21-37)35-33(41-22-34-12-5-14-38(34)15-6-13-34)36-32(28)39-20-23-17-26(39)19-27(40)18-23/h3-4,7-10,23,26-27,40H,2,5-6,11-22H2,1H3
• InChIKey: SRXAOORXRXFCBS-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 64.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.75
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol?

The IUPAC name of 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol (CID 164799155) is 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol.

What is the SMILES notation for 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol?

The canonical SMILES for 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol is CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CC5CC(O)CC4C5)C3)c12.

What is the InChIKey of 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol?

The InChIKey is SRXAOORXRXFCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O2/c1-2-24-7-3-8-25-9-4-10-30(31(24)25)37-16-11-28-29(21-37)35-33(41-22-34-12-5-14-38(34)15-6-13-34)36-32(28)39-20-23-17-26(39)19-27(40)18-23/h3-4,7-10,23,26-27,40H,2,5-6,11-22H2,1H3.

What are the key properties of 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol?

6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 553.75 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-6-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 164799155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).