7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C35H41N7O — CID 164798898

About 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 164798898) has the molecular formula C35H41N7O and a molecular weight of 575.76 g/mol. Its IUPAC name is 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 164798898
• Molecular Formula: C35H41N7O
• Molecular Weight: 575.76 g/mol
• Exact Mass: 575.34
• IUPAC Name: 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• SMILES: CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4NC4CN(c5ccccn5)C4)C3)c12
• InChI: InChI=1S/C35H41N7O/c1-2-25-9-5-10-26-11-6-12-30(32(25)26)40-20-14-28-29(23-40)38-34(43-24-35-15-7-18-42(35)19-8-16-35)39-33(28)37-27-21-41(22-27)31-13-3-4-17-36-31/h3-6,9-13,17,27H,2,7-8,14-16,18-24H2,1H3,(H,37,38,39)
• InChIKey: XLIFWIMGSOYQKK-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 69.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.76
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 164798898) is 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4NC4CN(c5ccccn5)C4)C3)c12.

What is the InChIKey of 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is XLIFWIMGSOYQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N7O/c1-2-25-9-5-10-26-11-6-12-30(32(25)26)40-20-14-28-29(23-40)38-34(43-24-35-15-7-18-42(35)19-8-16-35)39-33(28)37-27-21-41(22-27)31-13-3-4-17-36-31/h3-6,9-13,17,27H,2,7-8,14-16,18-24H2,1H3,(H,37,38,39).

What are the key properties of 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?

7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 575.76 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-N-(1-pyridin-2-ylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 164798898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).