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

C25H24FN7O2 — CID 166823320

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1cc(=O)[nH]cc1F)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
InChIInChI=1S/C25H24FN7O2/c1-13(16-10-18(34)28-12-17(16)26)20-19-22(32-31-20)29-24(30-23(19)35)33-8-6-25(7-9-33)11-14-4-2-3-5-15(14)21(25)27/h2-5,10,12,21H,1,6-9,11,27H2,(H,28,34)(H2,29,30,31,32,35)/t21-/m1/s1
InChIKeyOCAHPYUNPZXDOP-OAQYLSRUSA-N
MW473.51 g/mol
LogP2.38
Rot. Bonds3

About 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5-fluoro-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-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166823320) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5-fluoro-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-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166823320
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1cc(=O)[nH]cc1F)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
InChIInChI=1S/C25H24FN7O2/c1-13(16-10-18(34)28-12-17(16)26)20-19-22(32-31-20)29-24(30-23(19)35)33-8-6-25(7-9-33)11-14-4-2-3-5-15(14)21(25)27/h2-5,10,12,21H,1,6-9,11,27H2,(H,28,34)(H2,29,30,31,32,35)/t21-/m1/s1
InChIKeyOCAHPYUNPZXDOP-OAQYLSRUSA-N
XLogP2.38
TPSA136.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5-fluoro-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-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
(S)-N-[(1S)-6-fluoro-1'-(3-iodo-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-6-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
CID 164065849
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-[1-[2-(trifluoromethyl)-4-pyridinyl]cyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 166523167
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

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5-fluoro-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-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166823320) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5-fluoro-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-(5-fluoro-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-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is C=C(c1cc(=O)[nH]cc1F)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-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is OCAHPYUNPZXDOP-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24FN7O2/c1-13(16-10-18(34)28-12-17(16)26)20-19-22(32-31-20)29-24(30-23(19)35)33-8-6-25(7-9-33)11-14-4-2-3-5-15(14)21(25)27/h2-5,10,12,21H,1,6-9,11,27H2,(H,28,34)(H2,29,30,31,32,35)/t21-/m1/s1.
What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-(5-fluoro-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-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 473.51 g/mol, XLogP of 2.38, 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-(5-fluoro-2-oxo-1H-pyridin-4-yl)ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166823320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).