3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine

C87H101Cl9N26S5 — CID 163722416

About 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine

3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine (PubChem CID 163722416) has the molecular formula C87H101Cl9N26S5 and a molecular weight of 1990.36 g/mol. Its IUPAC name is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine
• PubChem CID: 163722416
• Molecular Formula: C87H101Cl9N26S5
• Molecular Weight: 1990.36 g/mol
• Exact Mass: 1984.45
• IUPAC Name: 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine
• SMILES: C[C@H]1CCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(N)n1)CC2.C[C@H]1CCC12CCN(c1cnc(Sc3ccnc(N)c3Cl)c(N)n1)CC2.Nc1nc(N2CC[C@@]3(CC[C@@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.Nc1nc(N2CC[C@@]3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.Nc1nc(N2CC[C@]3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl
• InChI: InChI=1S/C18H21Cl2N5S.C18H23ClN6S.3C17H19Cl2N5S/c2*1-11-2-4-18(11)5-8-25(9-6-18)13-10-23-17(16(21)24-13)26-12-3-7-22-15(20)14(12)19;3*18-10-2-1-3-11(14(10)19)25-16-15(21)23-13(8-22-16)24-7-6-17(9-24)5-4-12(17)20/h3,7,10-11H,2,4-6,8-9H2,1H3,(H2,21,24);3,7,10-11H,2,4-6,8-9H2,1H3,(H2,20,22)(H2,21,24);3*1-3,8,12H,4-7,9,20H2,(H2,21,23)/t2*11-;12-,17+;2*12-,17-/m00110/s1
• InChIKey: KSSCQNUQYQGRQO-XIHXKKMQSA-N
• XLogP: 20.29
• TPSA: 405.06 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1990.36
LogP ≤ 5	20.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine?

The IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine (CID 163722416) is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine.

What is the SMILES notation for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine?

The canonical SMILES for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine is C[C@H]1CCC12CCN(c1cnc(Sc3ccnc(Cl)c3Cl)c(N)n1)CC2.C[C@H]1CCC12CCN(c1cnc(Sc3ccnc(N)c3Cl)c(N)n1)CC2.Nc1nc(N2CC[C@@]3(CC[C@@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.Nc1nc(N2CC[C@@]3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.Nc1nc(N2CC[C@]3(CC[C@H]3N)C2)cnc1Sc1cccc(Cl)c1Cl.

What is the InChIKey of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine?

The InChIKey is KSSCQNUQYQGRQO-XIHXKKMQSA-N. The full InChI is InChI=1S/C18H21Cl2N5S.C18H23ClN6S.3C17H19Cl2N5S/c2*1-11-2-4-18(11)5-8-25(9-6-18)13-10-23-17(16(21)24-13)26-12-3-7-22-15(20)14(12)19;3*18-10-2-1-3-11(14(10)19)25-16-15(21)23-13(8-22-16)24-7-6-17(9-24)5-4-12(17)20/h3,7,10-11H,2,4-6,8-9H2,1H3,(H2,21,24);3,7,10-11H,2,4-6,8-9H2,1H3,(H2,20,22)(H2,21,24);3*1-3,8,12H,4-7,9,20H2,(H2,21,23)/t2*11-;12-,17+;2*12-,17-/m00110/s1.

What are the key properties of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine?

3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine has a molecular weight of 1990.36 g/mol, XLogP of 20.29, 15 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3S,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine is sourced from PubChem (CID 163722416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).