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

C26H27N7O2 — CID 166823133

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1cccc(CO)n1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
InChIInChI=1S/C26H27N7O2/c1-15(19-8-4-6-17(14-34)28-19)21-20-23(32-31-21)29-25(30-24(20)35)33-11-9-26(10-12-33)13-16-5-2-3-7-18(16)22(26)27/h2-8,22,34H,1,9-14,27H2,(H2,29,30,31,32,35)/t22-/m1/s1
InChIKeyHMRVDBXKGXEWTE-JOCHJYFZSA-N
MW469.55 g/mol
LogP2.44
Rot. Bonds4

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

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166823133) has the molecular formula C26H27N7O2 and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]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-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166823133
Molecular FormulaC26H27N7O2
Molecular Weight469.55 g/mol
Exact Mass469.22
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESC=C(c1cccc(CO)n1)c1[nH]nc2nc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)[nH]c(=O)c12
InChIInChI=1S/C26H27N7O2/c1-15(19-8-4-6-17(14-34)28-19)21-20-23(32-31-21)29-25(30-24(20)35)33-11-9-26(10-12-33)13-16-5-2-3-7-18(16)22(26)27/h2-8,22,34H,1,9-14,27H2,(H2,29,30,31,32,35)/t22-/m1/s1
InChIKeyHMRVDBXKGXEWTE-JOCHJYFZSA-N
XLogP2.44
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[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

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]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-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166823133) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]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-[6-(hydroxymethyl)-2-pyridinyl]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-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is C=C(c1cccc(CO)n1)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-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is HMRVDBXKGXEWTE-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27N7O2/c1-15(19-8-4-6-17(14-34)28-19)21-20-23(32-31-21)29-25(30-24(20)35)33-11-9-26(10-12-33)13-16-5-2-3-7-18(16)22(26)27/h2-8,22,34H,1,9-14,27H2,(H2,29,30,31,32,35)/t22-/m1/s1.
What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[1-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 469.55 g/mol, XLogP of 2.44, 4 rotatable bonds, 4 hydrogen bond donors, and 7 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-[6-(hydroxymethyl)-2-pyridinyl]ethenyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166823133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).