propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate

C26H29N3O2 — CID 175967179

IUPACpropan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)OC(=O)N1CCC2(CCc3cc(-c4cccc5c(N)nccc45)ccc32)CC1
InChIInChI=1S/C26H29N3O2/c1-17(2)31-25(30)29-14-11-26(12-15-29)10-8-19-16-18(6-7-23(19)26)20-4-3-5-22-21(20)9-13-28-24(22)27/h3-7,9,13,16-17H,8,10-12,14-15H2,1-2H3,(H2,27,28)
InChIKeyGZFRWAZMOPWJCP-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.31
Rot. Bonds2

About propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate

propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate (PubChem CID 175967179) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
PubChem CID175967179
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Namepropan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate
SMILESCC(C)OC(=O)N1CCC2(CCc3cc(-c4cccc5c(N)nccc45)ccc32)CC1
InChIInChI=1S/C26H29N3O2/c1-17(2)31-25(30)29-14-11-26(12-15-29)10-8-19-16-18(6-7-23(19)26)20-4-3-5-22-21(20)9-13-28-24(22)27/h3-7,9,13,16-17H,8,10-12,14-15H2,1-2H3,(H2,27,28)
InChIKeyGZFRWAZMOPWJCP-UHFFFAOYSA-N
XLogP5.31
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The IUPAC name of propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate (CID 175967179) is propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The canonical SMILES for propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate is CC(C)OC(=O)N1CCC2(CCc3cc(-c4cccc5c(N)nccc45)ccc32)CC1.
What is the InChIKey of propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
The InChIKey is GZFRWAZMOPWJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17(2)31-25(30)29-14-11-26(12-15-29)10-8-19-16-18(6-7-23(19)26)20-4-3-5-22-21(20)9-13-28-24(22)27/h3-7,9,13,16-17H,8,10-12,14-15H2,1-2H3,(H2,27,28).
What are the key properties of propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate?
propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate has a molecular weight of 415.54 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-(1-aminoisoquinolin-5-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 175967179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).