6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C25H25N7O2 — CID 166823257

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1cc[nH]c(=O)c1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
InChIInChI=1S/C25H25N7O2/c1-14(15-6-9-27-18(33)12-15)20-19-22(31-30-20)28-24(29-23(19)34)32-10-7-25(8-11-32)13-16-4-2-3-5-17(16)21(25)26/h2-6,9,12,21H,1,7-8,10-11,13,26H2,(H,27,33)(H2,28,29,30,31,34)/t21-/m1/s1
InChIKeyHZDPZINIHRECMX-OAQYLSRUSA-N
MW455.52 g/mol
LogP2.24
Rot. Bonds3

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166823257) has the molecular formula C25H25N7O2 and a molecular weight of 455.52 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166823257
Molecular FormulaC25H25N7O2
Molecular Weight455.52 g/mol
Exact Mass455.21
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1cc[nH]c(=O)c1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
InChIInChI=1S/C25H25N7O2/c1-14(15-6-9-27-18(33)12-15)20-19-22(31-30-20)28-24(29-23(19)34)32-10-7-25(8-11-32)13-16-4-2-3-5-17(16)21(25)26/h2-6,9,12,21H,1,7-8,10-11,13,26H2,(H,27,33)(H2,28,29,30,31,34)/t21-/m1/s1
InChIKeyHZDPZINIHRECMX-OAQYLSRUSA-N
XLogP2.24
TPSA136.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one with MolForge

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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-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-(6-fluoro-7,8-dihydroquinolin-5-yl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523209
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
6-[(1S)-1-amino-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1-phenylcyclopropyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523239

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166823257) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is C=C(c1cc[nH]c(=O)c1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12.
What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is HZDPZINIHRECMX-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H25N7O2/c1-14(15-6-9-27-18(33)12-15)20-19-22(31-30-20)28-24(29-23(19)34)32-10-7-25(8-11-32)13-16-4-2-3-5-17(16)21(25)26/h2-6,9,12,21H,1,7-8,10-11,13,26H2,(H,27,33)(H2,28,29,30,31,34)/t21-/m1/s1.
What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 455.52 g/mol, XLogP of 2.24, 3 rotatable bonds, 4 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]-3-[1-(2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166823257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).