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

C23H25N7O — CID 169100529

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

(1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (PubChem CID 169100529) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

Molecular Properties

• Compound Name: (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• PubChem CID: 169100529
• Molecular Formula: C23H25N7O
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.21
• IUPAC Name: (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
• SMILES: Cc1cn(C)nc1-c1nc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nc2o1
• InChI: InChI=1S/C23H25N7O/c1-14-13-29(2)28-18(14)21-26-17-12-25-22(27-20(17)31-21)30-9-7-23(8-10-30)11-15-5-3-4-6-16(15)19(23)24/h3-6,12-13,19H,7-11,24H2,1-2H3/t19-/m1/s1
• InChIKey: ZXYNLHSCMIQWOO-LJQANCHMSA-N
• XLogP: 3.17
• TPSA: 98.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The IUPAC name of (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine (CID 169100529) is (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine.

What is the SMILES notation for (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The canonical SMILES for (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is Cc1cn(C)nc1-c1nc2cnc(N3CCC4(CC3)Cc3ccccc3[C@H]4N)nc2o1.

What is the InChIKey of (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

The InChIKey is ZXYNLHSCMIQWOO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N7O/c1-14-13-29(2)28-18(14)21-26-17-12-25-22(27-20(17)31-21)30-9-7-23(8-10-30)11-15-5-3-4-6-16(15)19(23)24/h3-6,12-13,19H,7-11,24H2,1-2H3/t19-/m1/s1.

What are the key properties of (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine?

(1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine has a molecular weight of 415.50 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[2-(1,4-dimethylpyrazol-3-yl)-[1,3]oxazolo[5,4-d]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine is sourced from PubChem (CID 169100529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).