(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C46H45BrCl4N10 — CID 163519040

About (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine

(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 163519040) has the molecular formula C46H45BrCl4N10 and a molecular weight of 959.65 g/mol. Its IUPAC name is (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

• Compound Name: (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
• PubChem CID: 163519040
• Molecular Formula: C46H45BrCl4N10
• Molecular Weight: 959.65 g/mol
• Exact Mass: 956.18
• IUPAC Name: (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
• SMILES: Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(Br)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)cnc1-c1cccc(Cl)c1Cl
• InChI: InChI=1S/C23H22BrCl2N5.C23H23Cl2N5/c1-13-19(15-4-2-6-16(25)18(15)26)30-21(24)22(29-13)31-10-7-23(8-11-31)12-17-14(20(23)27)5-3-9-28-17;1-14-21(16-4-2-6-17(24)20(16)25)28-13-19(29-14)30-10-7-23(8-11-30)12-18-15(22(23)26)5-3-9-27-18/h2-6,9,20H,7-8,10-12,27H2,1H3;2-6,9,13,22H,7-8,10-12,26H2,1H3/t20-;22-/m11/s1
• InChIKey: DJEOBLLWDRABTQ-PYLREPFOSA-N
• XLogP: 10.76
• TPSA: 135.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.65
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The IUPAC name of (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 163519040) is (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

What is the SMILES notation for (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The canonical SMILES for (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)c(Br)nc1-c1cccc(Cl)c1Cl.Cc1nc(N2CCC3(CC2)Cc2ncccc2[C@H]3N)cnc1-c1cccc(Cl)c1Cl.

What is the InChIKey of (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

The InChIKey is DJEOBLLWDRABTQ-PYLREPFOSA-N. The full InChI is InChI=1S/C23H22BrCl2N5.C23H23Cl2N5/c1-13-19(15-4-2-6-16(25)18(15)26)30-21(24)22(29-13)31-10-7-23(8-11-31)12-17-14(20(23)27)5-3-9-28-17;1-14-21(16-4-2-6-17(24)20(16)25)28-13-19(29-14)30-10-7-23(8-11-30)12-18-15(22(23)26)5-3-9-27-18/h2-6,9,20H,7-8,10-12,27H2,1H3;2-6,9,13,22H,7-8,10-12,26H2,1H3/t20-;22-/m11/s1.

What are the key properties of (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?

(5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 959.65 g/mol, XLogP of 10.76, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-1'-[3-bromo-5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;(5S)-1'-[5-(2,3-dichlorophenyl)-6-methylpyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 163519040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).