3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine

C96H122Cl6N26S5 — CID 163791834

About 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine

3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine (PubChem CID 163791834) has the molecular formula C96H122Cl6N26S5 and a molecular weight of 2013.27 g/mol. Its IUPAC name is 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
• PubChem CID: 163791834
• Molecular Formula: C96H122Cl6N26S5
• Molecular Weight: 2013.27 g/mol
• Exact Mass: 2008.71
• IUPAC Name: 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
• SMILES: C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(N)c3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(N)c3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccncc3Cl)c(N)n1)CC2
• InChI: InChI=1S/C20H26ClN5S.C19H23Cl2N5S.C19H25ClN6S.2C19H24ClN5S/c1-13-4-3-7-20(13)8-10-26(11-9-20)16-12-24-19(18(23)25-16)27-15-6-2-5-14(22)17(15)21;2*1-12-3-2-5-19(12)6-9-26(10-7-19)14-11-24-18(17(22)25-14)27-13-4-8-23-16(21)15(13)20;1-13-4-2-6-19(13)7-10-25(11-8-19)15-12-23-18(17(21)24-15)26-14-5-3-9-22-16(14)20;1-13-3-2-5-19(13)6-9-25(10-7-19)16-12-23-18(17(21)24-16)26-15-4-8-22-11-14(15)20/h2,5-6,12-13H,3-4,7-11,22H2,1H3,(H2,23,25);4,8,11-12H,2-3,5-7,9-10H2,1H3,(H2,22,25);4,8,11-12H,2-3,5-7,9-10H2,1H3,(H2,21,23)(H2,22,25);3,5,9,12-13H,2,4,6-8,10-11H2,1H3,(H2,21,24);4,8,11-13H,2-3,5-7,9-10H2,1H3,(H2,21,24)/t13-;2*12-;2*13-/m11111/s1
• InChIKey: MXLDERUDKAJVSO-MBEUQPTNSA-N
• XLogP: 23.75
• TPSA: 378.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2013.27
LogP ≤ 5	23.75
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?

The IUPAC name of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine (CID 163791834) is 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine.

What is the SMILES notation for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?

The canonical SMILES for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine is C[C@@H]1CCCC12CCN(c1cnc(Sc3cccc(N)c3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3cccnc3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccnc(N)c3Cl)c(N)n1)CC2.C[C@@H]1CCCC12CCN(c1cnc(Sc3ccncc3Cl)c(N)n1)CC2.

What is the InChIKey of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?

The InChIKey is MXLDERUDKAJVSO-MBEUQPTNSA-N. The full InChI is InChI=1S/C20H26ClN5S.C19H23Cl2N5S.C19H25ClN6S.2C19H24ClN5S/c1-13-4-3-7-20(13)8-10-26(11-9-20)16-12-24-19(18(23)25-16)27-15-6-2-5-14(22)17(15)21;2*1-12-3-2-5-19(12)6-9-26(10-7-19)14-11-24-18(17(22)25-14)27-13-4-8-23-16(21)15(13)20;1-13-4-2-6-19(13)7-10-25(11-8-19)15-12-23-18(17(21)24-15)26-14-5-3-9-22-16(14)20;1-13-3-2-5-19(13)6-9-25(10-7-19)16-12-23-18(17(21)24-16)26-15-4-8-22-11-14(15)20/h2,5-6,12-13H,3-4,7-11,22H2,1H3,(H2,23,25);4,8,11-12H,2-3,5-7,9-10H2,1H3,(H2,22,25);4,8,11-12H,2-3,5-7,9-10H2,1H3,(H2,21,23)(H2,22,25);3,5,9,12-13H,2,4,6-8,10-11H2,1H3,(H2,21,24);4,8,11-13H,2-3,5-7,9-10H2,1H3,(H2,21,24)/t13-;2*12-;2*13-/m11111/s1.

What are the key properties of 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?

3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine has a molecular weight of 2013.27 g/mol, XLogP of 23.75, 15 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-amino-2-chlorophenyl)sulfanyl-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2-chloro-3-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine is sourced from PubChem (CID 163791834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).