6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

C27H28N6O — CID 166823202

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1ccccc1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n(C)c(=O)c12
InChIInChI=1S/C27H28N6O/c1-17(18-8-4-3-5-9-18)22-21-24(31-30-22)29-26(32(2)25(21)34)33-14-12-27(13-15-33)16-19-10-6-7-11-20(19)23(27)28/h3-11,23H,1,12-16,28H2,2H3,(H,30,31)/t23-/m1/s1
InChIKeyVJQGSBVXBYKQNR-HSZRJFAPSA-N
MW452.56 g/mol
LogP3.56
Rot. Bonds3

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166823202) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166823202
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1ccccc1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n(C)c(=O)c12
InChIInChI=1S/C27H28N6O/c1-17(18-8-4-3-5-9-18)22-21-24(31-30-22)29-26(32(2)25(21)34)33-14-12-27(13-15-33)16-19-10-6-7-11-20(19)23(27)28/h3-11,23H,1,12-16,28H2,2H3,(H,30,31)/t23-/m1/s1
InChIKeyVJQGSBVXBYKQNR-HSZRJFAPSA-N
XLogP3.56
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-Amino-4-methylpiperidin-1-yl)-3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137174610
6-(4-Amino-4-methylpiperidin-1-yl)-3-[2-(trifluoromethyl)phenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 168279143
6-[(2S,4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]-5-methyl-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 124148032
6-(3-fluoro-8-azaspiro[4.5]decan-8-yl)-5-methyl-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 138613513
6-[(1S)-1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(2,3-dichlorophenyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 146537633
6-[(1S)-1-amino-5,6,7-trifluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 146537634
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[6,6-dimethyl-1-(2,2,2-trifluoroethyl)-7H-indazol-4-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523159
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523166
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[2-(trifluoromethyl)-7,8-dihydroquinolin-5-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523195
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[7,7-dimethyl-2-(trifluoromethyl)-8H-quinolin-5-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523198
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[2,4-bis(trifluoromethyl)-7,8-dihydroquinolin-5-yl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523203
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(4-fluorophenyl)cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523236

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 166823202) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one is C=C(c1ccccc1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)n(C)c(=O)c12.
What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is VJQGSBVXBYKQNR-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H28N6O/c1-17(18-8-4-3-5-9-18)22-21-24(31-30-22)29-26(32(2)25(21)34)33-14-12-27(13-15-33)16-19-10-6-7-11-20(19)23(27)28/h3-11,23H,1,12-16,28H2,2H3,(H,30,31)/t23-/m1/s1.
What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one?
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 452.56 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-5-methyl-3-(1-phenylethenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166823202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).