4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

C23H24Cl2N4O2 — CID 86291736

About 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one

4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (PubChem CID 86291736) has the molecular formula C23H24Cl2N4O2 and a molecular weight of 459.38 g/mol. Its IUPAC name is 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

Molecular Properties

• Compound Name: 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
• PubChem CID: 86291736
• Molecular Formula: C23H24Cl2N4O2
• Molecular Weight: 459.38 g/mol
• Exact Mass: 458.13
• IUPAC Name: 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one
• SMILES: O=C1N(Cc2cc3cc(Cl)ccc3n2CCCNCCO)c2cncc(Cl)c2C12CC2
• InChI: InChI=1S/C23H24Cl2N4O2/c24-16-2-3-19-15(10-16)11-17(28(19)8-1-6-26-7-9-30)14-29-20-13-27-12-18(25)21(20)23(4-5-23)22(29)31/h2-3,10-13,26,30H,1,4-9,14H2
• InChIKey: YVNHUWLZYQWJPK-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.38
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?

The IUPAC name of 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one (CID 86291736) is 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one.

What is the SMILES notation for 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?

The canonical SMILES for 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is O=C1N(Cc2cc3cc(Cl)ccc3n2CCCNCCO)c2cncc(Cl)c2C12CC2.

What is the InChIKey of 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?

The InChIKey is YVNHUWLZYQWJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O2/c24-16-2-3-19-15(10-16)11-17(28(19)8-1-6-26-7-9-30)14-29-20-13-27-12-18(25)21(20)23(4-5-23)22(29)31/h2-3,10-13,26,30H,1,4-9,14H2.

What are the key properties of 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one?

4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one has a molecular weight of 459.38 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4'-chloro-1'-[[5-chloro-1-[3-(2-hydroxyethylamino)propyl]indol-2-yl]methyl]spiro[cyclopropane-1,3'-pyrrolo[2,3-c]pyridine]-2'-one is sourced from PubChem (CID 86291736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).