[6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate

C34H28Cl3N5O6 — CID 166693200

About [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate

[6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate (PubChem CID 166693200) has the molecular formula C34H28Cl3N5O6 and a molecular weight of 708.99 g/mol. Its IUPAC name is [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate.

Molecular Properties

• Compound Name: [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
• PubChem CID: 166693200
• Molecular Formula: C34H28Cl3N5O6
• Molecular Weight: 708.99 g/mol
• Exact Mass: 707.11
• IUPAC Name: [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccn5c(=O)c(CO)c(Cl)nc5c4)c3Cl)c2Cl)ccc1COC(=O)NCC1CCC(=O)N1
• InChI: InChI=1S/C34H28Cl3N5O6/c1-47-32-19(17-48-34(46)38-15-20-9-11-28(44)39-20)8-10-26(40-32)24-7-3-6-23(30(24)36)22-5-2-4-21(29(22)35)18-12-13-42-27(14-18)41-31(37)25(16-43)33(42)45/h2-8,10,12-14,20,43H,9,11,15-17H2,1H3,(H,38,46)(H,39,44)
• InChIKey: PSGQEOBKWBCCQD-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 144.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.99
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?

The IUPAC name of [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate (CID 166693200) is [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate.

What is the SMILES notation for [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?

The canonical SMILES for [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate is COc1nc(-c2cccc(-c3cccc(-c4ccn5c(=O)c(CO)c(Cl)nc5c4)c3Cl)c2Cl)ccc1COC(=O)NCC1CCC(=O)N1.

What is the InChIKey of [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?

The InChIKey is PSGQEOBKWBCCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Cl3N5O6/c1-47-32-19(17-48-34(46)38-15-20-9-11-28(44)39-20)8-10-26(40-32)24-7-3-6-23(30(24)36)22-5-2-4-21(29(22)35)18-12-13-42-27(14-18)41-31(37)25(16-43)33(42)45/h2-8,10,12-14,20,43H,9,11,15-17H2,1H3,(H,38,46)(H,39,44).

What are the key properties of [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?

[6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate has a molecular weight of 708.99 g/mol, XLogP of 6.06, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[2-chloro-3-[2-chloro-3-[2-chloro-3-(hydroxymethyl)-4-oxopyrido[1,2-a]pyrimidin-8-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate is sourced from PubChem (CID 166693200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).