[(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate

C37H46ClN7O3 — CID 170319492

About [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate

[(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate (PubChem CID 170319492) has the molecular formula C37H46ClN7O3 and a molecular weight of 672.27 g/mol. Its IUPAC name is [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
• PubChem CID: 170319492
• Molecular Formula: C37H46ClN7O3
• Molecular Weight: 672.27 g/mol
• Exact Mass: 671.34
• IUPAC Name: [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
• SMILES: Cc1c(-c2cccc3cccc(Cl)c23)ncc2c(NCC3(N(C)C)CCC3)nc(OC[C@]34CCCN3[C@@H](COC(=O)N(C)C)CC4)nc12
• InChI: InChI=1S/C37H46ClN7O3/c1-24-31(27-12-6-10-25-11-7-13-29(38)30(25)27)39-20-28-32(24)41-34(42-33(28)40-22-36(44(4)5)15-8-16-36)48-23-37-17-9-19-45(37)26(14-18-37)21-47-35(46)43(2)3/h6-7,10-13,20,26H,8-9,14-19,21-23H2,1-5H3,(H,40,41,42)/t26-,37-/m1/s1
• InChIKey: OWWHPJYGCDRYBZ-NGXVIIRPSA-N
• XLogP: 6.78
• TPSA: 95.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.27
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?

The IUPAC name of [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate (CID 170319492) is [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate.

What is the SMILES notation for [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?

The canonical SMILES for [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate is Cc1c(-c2cccc3cccc(Cl)c23)ncc2c(NCC3(N(C)C)CCC3)nc(OC[C@]34CCCN3[C@@H](COC(=O)N(C)C)CC4)nc12.

What is the InChIKey of [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?

The InChIKey is OWWHPJYGCDRYBZ-NGXVIIRPSA-N. The full InChI is InChI=1S/C37H46ClN7O3/c1-24-31(27-12-6-10-25-11-7-13-29(38)30(25)27)39-20-28-32(24)41-34(42-33(28)40-22-36(44(4)5)15-8-16-36)48-23-37-17-9-19-45(37)26(14-18-37)21-47-35(46)43(2)3/h6-7,10-13,20,26H,8-9,14-19,21-23H2,1-5H3,(H,40,41,42)/t26-,37-/m1/s1.

What are the key properties of [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?

[(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate has a molecular weight of 672.27 g/mol, XLogP of 6.78, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,8R)-8-[[7-(8-chloronaphthalen-1-yl)-4-[[1-(dimethylamino)cyclobutyl]methylamino]-8-methylpyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 170319492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).