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

C26H38Cl3N5 — CID 68737032

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

N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride (PubChem CID 68737032) has the molecular formula C26H38Cl3N5 and a molecular weight of 526.98 g/mol. Its IUPAC name is N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride.

Molecular Properties

• Compound Name: N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride
• PubChem CID: 68737032
• Molecular Formula: C26H38Cl3N5
• Molecular Weight: 526.98 g/mol
• Exact Mass: 525.22
• IUPAC Name: N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride
• SMILES: CC1CCc2ncnc(N3CCC4(CC3)CNc3cccc(CNC5CCCC5)c34)c21.Cl.Cl.Cl
• InChI: InChI=1S/C26H35N5.3ClH/c1-18-9-10-21-23(18)25(30-17-29-21)31-13-11-26(12-14-31)16-28-22-8-4-5-19(24(22)26)15-27-20-6-2-3-7-20;;;/h4-5,8,17-18,20,27-28H,2-3,6-7,9-16H2,1H3;3*1H
• InChIKey: GPXNDKXILWGDST-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 53.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.98
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride (CID 68737032) is N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride.

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

The canonical SMILES for N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride is CC1CCc2ncnc(N3CCC4(CC3)CNc3cccc(CNC5CCCC5)c34)c21.Cl.Cl.Cl.

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

The InChIKey is GPXNDKXILWGDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5.3ClH/c1-18-9-10-21-23(18)25(30-17-29-21)31-13-11-26(12-14-31)16-28-22-8-4-5-19(24(22)26)15-27-20-6-2-3-7-20;;;/h4-5,8,17-18,20,27-28H,2-3,6-7,9-16H2,1H3;3*1H.

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

N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride has a molecular weight of 526.98 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1'-(5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)spiro[1,2-dihydroindole-3,4'-piperidine]-4-yl]methyl]cyclopentanamine;trihydrochloride is sourced from PubChem (CID 68737032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).