(5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one

C32H34Cl2N6O3 — CID 157470956

About (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one

(5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one (PubChem CID 157470956) has the molecular formula C32H34Cl2N6O3 and a molecular weight of 621.57 g/mol. Its IUPAC name is (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one
• PubChem CID: 157470956
• Molecular Formula: C32H34Cl2N6O3
• Molecular Weight: 621.57 g/mol
• Exact Mass: 620.21
• IUPAC Name: (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cnc(CN(C)C)c(OC)n4)c3Cl)c2Cl)cnc1CCC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C32H34Cl2N6O3/c1-40(2)18-27-32(43-4)39-26(17-36-27)23-12-7-10-21(30(23)34)20-9-6-11-22(29(20)33)25-16-35-24(31(38-25)42-3)13-5-8-19-14-15-28(41)37-19/h6-7,9-12,16-17,19H,5,8,13-15,18H2,1-4H3,(H,37,41)/t19-/m1/s1
• InChIKey: BVALLUATAXXCAY-LJQANCHMSA-N
• XLogP: 6.25
• TPSA: 102.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.57
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one (CID 157470956) is (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4cnc(CN(C)C)c(OC)n4)c3Cl)c2Cl)cnc1CCC[C@@H]1CCC(=O)N1.

What is the InChIKey of (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one?

The InChIKey is BVALLUATAXXCAY-LJQANCHMSA-N. The full InChI is InChI=1S/C32H34Cl2N6O3/c1-40(2)18-27-32(43-4)39-26(17-36-27)23-12-7-10-21(30(23)34)20-9-6-11-22(29(20)33)25-16-35-24(31(38-25)42-3)13-5-8-19-14-15-28(41)37-19/h6-7,9-12,16-17,19H,5,8,13-15,18H2,1-4H3,(H,37,41)/t19-/m1/s1.

What are the key properties of (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one?

(5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one has a molecular weight of 621.57 g/mol, XLogP of 6.25, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[3-[5-[2-chloro-3-[2-chloro-3-[5-[(dimethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 157470956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).