methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate

C36H41ClFN7O3 — CID 156645562

About methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate

methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate (PubChem CID 156645562) has the molecular formula C36H41ClFN7O3 and a molecular weight of 674.22 g/mol. Its IUPAC name is methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate
• PubChem CID: 156645562
• Molecular Formula: C36H41ClFN7O3
• Molecular Weight: 674.22 g/mol
• Exact Mass: 673.29
• IUPAC Name: methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate
• SMILES: COC(=O)NC[C@H]1CC[C@@]2(COc3nc(N4CCC5CNC(C5)C4)c4cnc(-c5cccc6cc(C)cc(Cl)c56)c(F)c4n3)CCCN12
• InChI: InChI=1S/C36H41ClFN7O3/c1-21-13-23-5-3-6-26(29(23)28(37)14-21)31-30(38)32-27(18-40-31)33(44-12-8-22-15-24(19-44)39-16-22)43-34(42-32)48-20-36-9-4-11-45(36)25(7-10-36)17-41-35(46)47-2/h3,5-6,13-14,18,22,24-25,39H,4,7-12,15-17,19-20H2,1-2H3,(H,41,46)/t22?,24?,25-,36-/m1/s1
• InChIKey: DDFJHSGCSBRGRB-BOZKSNCGSA-N
• XLogP: 5.87
• TPSA: 104.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.22
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate?

The IUPAC name of methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate (CID 156645562) is methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate.

What is the SMILES notation for methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate?

The canonical SMILES for methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate is COC(=O)NC[C@H]1CC[C@@]2(COc3nc(N4CCC5CNC(C5)C4)c4cnc(-c5cccc6cc(C)cc(Cl)c56)c(F)c4n3)CCCN12.

What is the InChIKey of methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate?

The InChIKey is DDFJHSGCSBRGRB-BOZKSNCGSA-N. The full InChI is InChI=1S/C36H41ClFN7O3/c1-21-13-23-5-3-6-26(29(23)28(37)14-21)31-30(38)32-27(18-40-31)33(44-12-8-22-15-24(19-44)39-16-22)43-34(42-32)48-20-36-9-4-11-45(36)25(7-10-36)17-41-35(46)47-2/h3,5-6,13-14,18,22,24-25,39H,4,7-12,15-17,19-20H2,1-2H3,(H,41,46)/t22?,24?,25-,36-/m1/s1.

What are the key properties of methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate?

methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate has a molecular weight of 674.22 g/mol, XLogP of 5.87, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[(3R,8R)-8-[[7-(8-chloro-6-methylnaphthalen-1-yl)-4-(3,8-diazabicyclo[4.2.1]nonan-3-yl)-8-fluoropyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl]carbamate is sourced from PubChem (CID 156645562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).