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

C27H28N6O — CID 166523333

IUPAC6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c([C@H]4C[C@@H]4c4ccccc4)c3c(=O)[nH]1)CC2
InChIInChI=1S/C27H28N6O/c28-23-18-9-5-4-8-17(18)15-27(23)10-12-33(13-11-27)26-29-24-21(25(34)30-26)22(31-32-24)20-14-19(20)16-6-2-1-3-7-16/h1-9,19-20,23H,10-15,28H2,(H2,29,30,31,32,34)/t19-,20+,23-/m1/s1
InChIKeyQMQSNIOKSDSGKA-ZRCGQRJVSA-N
MW452.56 g/mol
LogP3.76
Rot. Bonds3

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

6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 166523333) 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]-3-[(1S,2S)-2-phenylcyclopropyl]-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-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID166523333
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC Name6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESN[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c([C@H]4C[C@@H]4c4ccccc4)c3c(=O)[nH]1)CC2
InChIInChI=1S/C27H28N6O/c28-23-18-9-5-4-8-17(18)15-27(23)10-12-33(13-11-27)26-29-24-21(25(34)30-26)22(31-32-24)20-14-19(20)16-6-2-1-3-7-16/h1-9,19-20,23H,10-15,28H2,(H2,29,30,31,32,34)/t19-,20+,23-/m1/s1
InChIKeyQMQSNIOKSDSGKA-ZRCGQRJVSA-N
XLogP3.76
TPSA103.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-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-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 166523333) is 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-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-[(1S,2S)-2-phenylcyclopropyl]-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-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is N[C@@H]1c2ccccc2CC12CCN(c1nc3n[nH]c([C@H]4C[C@@H]4c4ccccc4)c3c(=O)[nH]1)CC2.
What is the InChIKey of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is QMQSNIOKSDSGKA-ZRCGQRJVSA-N. The full InChI is InChI=1S/C27H28N6O/c28-23-18-9-5-4-8-17(18)15-27(23)10-12-33(13-11-27)26-29-24-21(25(34)30-26)22(31-32-24)20-14-19(20)16-6-2-1-3-7-16/h1-9,19-20,23H,10-15,28H2,(H2,29,30,31,32,34)/t19-,20+,23-/m1/s1.
What are the key properties of 6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
6-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 452.56 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 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-[(1S,2S)-2-phenylcyclopropyl]-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166523333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).