(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

C24H24N6 — CID 155774199

IUPAC(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncnc3c1cnn3-c1ccccc1)CC2
InChIInChI=1S/C24H24N6/c25-21-19-9-5-4-6-17(19)14-24(21)10-12-29(13-11-24)22-20-15-28-30(23(20)27-16-26-22)18-7-2-1-3-8-18/h1-9,15-16,21H,10-14,25H2/t21-/m1/s1
InChIKeyNYEMTTBNSBJIEU-OAQYLSRUSA-N
MW396.50 g/mol
LogP3.66
Rot. Bonds2

About (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine

(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 155774199) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
PubChem CID155774199
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
SMILESN[C@@H]1c2ccccc2CC12CCN(c1ncnc3c1cnn3-c1ccccc1)CC2
InChIInChI=1S/C24H24N6/c25-21-19-9-5-4-6-17(19)14-24(21)10-12-29(13-11-24)22-20-15-28-30(23(20)27-16-26-22)18-7-2-1-3-8-18/h1-9,15-16,21H,10-14,25H2/t21-/m1/s1
InChIKeyNYEMTTBNSBJIEU-OAQYLSRUSA-N
XLogP3.66
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine 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 (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 155774199) is (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is N[C@@H]1c2ccccc2CC12CCN(c1ncnc3c1cnn3-c1ccccc1)CC2.
What is the InChIKey of (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
The InChIKey is NYEMTTBNSBJIEU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N6/c25-21-19-9-5-4-6-17(19)14-24(21)10-12-29(13-11-24)22-20-15-28-30(23(20)27-16-26-22)18-7-2-1-3-8-18/h1-9,15-16,21H,10-14,25H2/t21-/m1/s1.
What are the key properties of (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?
(1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 396.50 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 155774199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).