[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride

C25H29Cl3N4O2 — CID 25001925

About [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride

[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride (PubChem CID 25001925) has the molecular formula C25H29Cl3N4O2 and a molecular weight of 523.89 g/mol. Its IUPAC name is [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride.

Molecular Properties

• Compound Name: [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride
• PubChem CID: 25001925
• Molecular Formula: C25H29Cl3N4O2
• Molecular Weight: 523.89 g/mol
• Exact Mass: 522.14
• IUPAC Name: [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride
• SMILES: Cl.Cl.O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12
• InChI: InChI=1S/C25H27ClN4O2.2ClH/c26-17-5-6-19-20(15-30(23(19)13-17)14-18-3-1-9-27-18)24(31)29-11-7-25(8-12-29)21-4-2-10-28-22(21)16-32-25;;/h2,4-6,10,13,15,18,27H,1,3,7-9,11-12,14,16H2;2*1H/t18-;;/m0../s1
• InChIKey: HHVFLYPJVPQIOB-NTEVMMBTSA-N
• XLogP: 4.95
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.89
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride?

The IUPAC name of [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride (CID 25001925) is [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride.

What is the SMILES notation for [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride?

The canonical SMILES for [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride is Cl.Cl.O=C(c1cn(C[C@@H]2CCCN2)c2cc(Cl)ccc12)N1CCC2(CC1)OCc1ncccc12.

What is the InChIKey of [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride?

The InChIKey is HHVFLYPJVPQIOB-NTEVMMBTSA-N. The full InChI is InChI=1S/C25H27ClN4O2.2ClH/c26-17-5-6-19-20(15-30(23(19)13-17)14-18-3-1-9-27-18)24(31)29-11-7-25(8-12-29)21-4-2-10-28-22(21)16-32-25;;/h2,4-6,10,13,15,18,27H,1,3,7-9,11-12,14,16H2;2*1H/t18-;;/m0../s1.

What are the key properties of [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride?

[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride has a molecular weight of 523.89 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-spiro[7H-furo[3,4-b]pyridine-5,4'-piperidine]-1'-ylmethanone;dihydrochloride is sourced from PubChem (CID 25001925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).