N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine

C27H28F3N7O — CID 170101491

About N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine

N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine (PubChem CID 170101491) has the molecular formula C27H28F3N7O and a molecular weight of 523.56 g/mol. Its IUPAC name is N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine.

Molecular Properties

• Compound Name: N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine
• PubChem CID: 170101491
• Molecular Formula: C27H28F3N7O
• Molecular Weight: 523.56 g/mol
• Exact Mass: 523.23
• IUPAC Name: N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine
• SMILES: C=N[C@@H]1c2cc(OC)ccc2CC12CCN(c1nc(C)c(-c3cc(C(F)(F)F)nn3C)n3nccc13)CC2
• InChI: InChI=1S/C27H28F3N7O/c1-16-23(21-14-22(27(28,29)30)34-35(21)3)37-20(7-10-32-37)25(33-16)36-11-8-26(9-12-36)15-17-5-6-18(38-4)13-19(17)24(26)31-2/h5-7,10,13-14,24H,2,8-9,11-12,15H2,1,3-4H3/t24-/m1/s1
• InChIKey: FJQONBIVUDRQEW-XMMPIXPASA-N
• XLogP: 5.05
• TPSA: 72.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.56
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine?

The IUPAC name of N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine (CID 170101491) is N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine.

What is the SMILES notation for N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine?

The canonical SMILES for N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine is C=N[C@@H]1c2cc(OC)ccc2CC12CCN(c1nc(C)c(-c3cc(C(F)(F)F)nn3C)n3nccc13)CC2.

What is the InChIKey of N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine?

The InChIKey is FJQONBIVUDRQEW-XMMPIXPASA-N. The full InChI is InChI=1S/C27H28F3N7O/c1-16-23(21-14-22(27(28,29)30)34-35(21)3)37-20(7-10-32-37)25(33-16)36-11-8-26(9-12-36)15-17-5-6-18(38-4)13-19(17)24(26)31-2/h5-7,10,13-14,24H,2,8-9,11-12,15H2,1,3-4H3/t24-/m1/s1.

What are the key properties of N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine?

N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine has a molecular weight of 523.56 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-6-methoxy-1'-[6-methyl-7-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrazin-4-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]methanimine is sourced from PubChem (CID 170101491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).