N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

C25H30ClN5O2S — CID 146485522

About N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide

N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (PubChem CID 146485522) has the molecular formula C25H30ClN5O2S and a molecular weight of 500.07 g/mol. Its IUPAC name is N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 146485522
• Molecular Formula: C25H30ClN5O2S
• Molecular Weight: 500.07 g/mol
• Exact Mass: 499.18
• IUPAC Name: N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide
• SMILES: COc1ccc2c(c1)CC1(CCN(c3cnc4nc(Cl)ccc4n3)CC1)[C@@H]2NS(=O)C(C)(C)C
• InChI: InChI=1S/C25H30ClN5O2S/c1-24(2,3)34(32)30-22-18-6-5-17(33-4)13-16(18)14-25(22)9-11-31(12-10-25)21-15-27-23-19(28-21)7-8-20(26)29-23/h5-8,13,15,22,30H,9-12,14H2,1-4H3/t22-,34?/m1/s1
• InChIKey: SDRPYZRWFUZFOS-PVFJFFHYSA-N
• XLogP: 4.62
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.07
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide (CID 146485522) is N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is COc1ccc2c(c1)CC1(CCN(c3cnc4nc(Cl)ccc4n3)CC1)[C@@H]2NS(=O)C(C)(C)C.

What is the InChIKey of N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is SDRPYZRWFUZFOS-PVFJFFHYSA-N. The full InChI is InChI=1S/C25H30ClN5O2S/c1-24(2,3)34(32)30-22-18-6-5-17(33-4)13-16(18)14-25(22)9-11-31(12-10-25)21-15-27-23-19(28-21)7-8-20(26)29-23/h5-8,13,15,22,30H,9-12,14H2,1-4H3/t22-,34?/m1/s1.

What are the key properties of N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide?

N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 500.07 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-(6-chloropyrido[2,3-b]pyrazin-2-yl)-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 146485522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).