N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride

C25H38Cl3N5 — CID 68736302

About N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride

N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride (PubChem CID 68736302) has the molecular formula C25H38Cl3N5 and a molecular weight of 514.97 g/mol. Its IUPAC name is N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride.

Molecular Properties

• Compound Name: N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride
• PubChem CID: 68736302
• Molecular Formula: C25H38Cl3N5
• Molecular Weight: 514.97 g/mol
• Exact Mass: 513.22
• IUPAC Name: N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride
• SMILES: CCC1CCc2ncnc(N3CCC4(CC3)CNc3cccc(CNC(C)C)c34)c21.Cl.Cl.Cl
• InChI: InChI=1S/C25H35N5.3ClH/c1-4-18-8-9-20-22(18)24(29-16-28-20)30-12-10-25(11-13-30)15-27-21-7-5-6-19(23(21)25)14-26-17(2)3;;;/h5-7,16-18,26-27H,4,8-15H2,1-3H3;3*1H
• InChIKey: QSXMOPJNBOOEQA-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 53.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.97
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride?

The IUPAC name of N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride (CID 68736302) is N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride.

What is the SMILES notation for N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride?

The canonical SMILES for N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride is CCC1CCc2ncnc(N3CCC4(CC3)CNc3cccc(CNC(C)C)c34)c21.Cl.Cl.Cl.

What is the InChIKey of N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride?

The InChIKey is QSXMOPJNBOOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5.3ClH/c1-4-18-8-9-20-22(18)24(29-16-28-20)30-12-10-25(11-13-30)15-27-21-7-5-6-19(23(21)25)14-26-17(2)3;;;/h5-7,16-18,26-27H,4,8-15H2,1-3H3;3*1H.

What are the key properties of N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride?

N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride has a molecular weight of 514.97 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1'-(5-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]propan-2-amine;trihydrochloride is sourced from PubChem (CID 68736302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).