(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

C35H35Cl2N5O2 — CID 142459833

About (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 142459833) has the molecular formula C35H35Cl2N5O2 and a molecular weight of 628.60 g/mol. Its IUPAC name is (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
• PubChem CID: 142459833
• Molecular Formula: C35H35Cl2N5O2
• Molecular Weight: 628.60 g/mol
• Exact Mass: 627.22
• IUPAC Name: (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc5[nH]c(CN(C)C)cc5c4)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C35H35Cl2N5O2/c1-42(2)20-25-17-23-16-21(10-13-30(23)39-25)26-6-4-7-27(33(26)36)28-8-5-9-29(34(28)37)31-14-11-22(35(41-31)44-3)18-38-19-24-12-15-32(43)40-24/h4-11,13-14,16-17,24,38-39H,12,15,18-20H2,1-3H3,(H,40,43)/t24-/m0/s1
• InChIKey: IJKYCVDRNRWLPV-DEOSSOPVSA-N
• XLogP: 7.31
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	628.60
LogP ≤ 5	7.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The IUPAC name of (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (CID 142459833) is (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

What is the SMILES notation for (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The canonical SMILES for (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4ccc5[nH]c(CN(C)C)cc5c4)c3Cl)c2Cl)ccc1CNC[C@@H]1CCC(=O)N1.

What is the InChIKey of (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The InChIKey is IJKYCVDRNRWLPV-DEOSSOPVSA-N. The full InChI is InChI=1S/C35H35Cl2N5O2/c1-42(2)20-25-17-23-16-21(10-13-30(23)39-25)26-6-4-7-27(33(26)36)28-8-5-9-29(34(28)37)31-14-11-22(35(41-31)44-3)18-38-19-24-12-15-32(43)40-24/h4-11,13-14,16-17,24,38-39H,12,15,18-20H2,1-3H3,(H,40,43)/t24-/m0/s1.

What are the key properties of (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 628.60 g/mol, XLogP of 7.31, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[2-[(dimethylamino)methyl]-1H-indol-5-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 142459833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).