(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride

C22H22Cl3N5S — CID 155774186

About (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride

(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (PubChem CID 155774186) has the molecular formula C22H22Cl3N5S and a molecular weight of 494.88 g/mol. Its IUPAC name is (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

Molecular Properties

• Compound Name: (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
• PubChem CID: 155774186
• Molecular Formula: C22H22Cl3N5S
• Molecular Weight: 494.88 g/mol
• Exact Mass: 493.07
• IUPAC Name: (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
• SMILES: Cl.N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2
• InChI: InChI=1S/C22H21Cl2N5S.ClH/c23-19-16(5-8-26-21(19)24)30-18-13-27-17(12-28-18)29-9-6-22(7-10-29)11-14-3-1-2-4-15(14)20(22)25;/h1-5,8,12-13,20H,6-7,9-11,25H2;1H/t20-;/m1./s1
• InChIKey: MJWAJEIRBFKOQP-VEIFNGETSA-N
• XLogP: 5.59
• TPSA: 67.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.88
LogP ≤ 5	5.59
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 (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

The IUPAC name of (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride (CID 155774186) is (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride.

What is the SMILES notation for (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

The canonical SMILES for (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is Cl.N[C@@H]1c2ccccc2CC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)cn1)CC2.

What is the InChIKey of (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

The InChIKey is MJWAJEIRBFKOQP-VEIFNGETSA-N. The full InChI is InChI=1S/C22H21Cl2N5S.ClH/c23-19-16(5-8-26-21(19)24)30-18-13-27-17(12-28-18)29-9-6-22(7-10-29)11-14-3-1-2-4-15(14)20(22)25;/h1-5,8,12-13,20H,6-7,9-11,25H2;1H/t20-;/m1./s1.

What are the key properties of (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride?

(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride has a molecular weight of 494.88 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride is sourced from PubChem (CID 155774186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).