5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C95H113Cl4N37O10S — CID 159851533

About 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 159851533) has the molecular formula C95H113Cl4N37O10S and a molecular weight of 2107.08 g/mol. Its IUPAC name is 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
• PubChem CID: 159851533
• Molecular Formula: C95H113Cl4N37O10S
• Molecular Weight: 2107.08 g/mol
• Exact Mass: 2103.79
• IUPAC Name: 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
• SMILES: CC(C)OCCNc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1ccc(-c2nc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cs2)cc1.Cc1ccc(-c2noc(C)c2C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1nc(N)c(Cl)nc1C(=O)NC1=NCC2(CCN(C(=O)c3ccc(N4CCN(C)CC4)nc3)CC2)N1
• InChI: InChI=1S/C24H31ClN10O2.C24H26ClN9O3.C24H32ClN9O3.C23H24ClN9O2S/c1-15-18(30-19(25)20(26)29-15)21(36)31-23-28-14-24(32-23)5-7-35(8-6-24)22(37)16-3-4-17(27-13-16)34-11-9-33(2)10-12-34;1-12-3-5-14(6-4-12)16-15(13(2)37-33-16)22(36)34-9-7-24(8-10-34)11-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;1-14(2)37-12-9-28-16-5-3-15(4-6-16)22(36)34-10-7-24(8-11-34)13-29-23(33-24)32-21(35)17-19(26)31-20(27)18(25)30-17;1-12-2-4-13(5-3-12)20-28-14(10-36-20)21(35)33-8-6-23(7-9-33)11-27-22(32-23)31-19(34)15-17(25)30-18(26)16(24)29-15/h3-4,13H,5-12,14H2,1-2H3,(H2,26,29)(H2,28,31,32,36);3-6H,7-11H2,1-2H3,(H4,26,27,30)(H2,28,31,32,35);3-6,14,28H,7-13H2,1-2H3,(H4,26,27,31)(H2,29,32,33,35);2-5,10H,6-9,11H2,1H3,(H4,25,26,30)(H2,27,31,32,34)
• InChIKey: NPZQENWWWFWJHZ-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 660.01 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 40
• Rotatable Bonds: 16
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.08
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 159851533) is 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is CC(C)OCCNc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1ccc(-c2nc(C(=O)N3CCC4(CC3)CN=C(NC(=O)c3nc(Cl)c(N)nc3N)N4)cs2)cc1.Cc1ccc(-c2noc(C)c2C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Cc1nc(N)c(Cl)nc1C(=O)NC1=NCC2(CCN(C(=O)c3ccc(N4CCN(C)CC4)nc3)CC2)N1.

What is the InChIKey of 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The InChIKey is NPZQENWWWFWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN10O2.C24H26ClN9O3.C24H32ClN9O3.C23H24ClN9O2S/c1-15-18(30-19(25)20(26)29-15)21(36)31-23-28-14-24(32-23)5-7-35(8-6-24)22(37)16-3-4-17(27-13-16)34-11-9-33(2)10-12-34;1-12-3-5-14(6-4-12)16-15(13(2)37-33-16)22(36)34-9-7-24(8-10-34)11-28-23(32-24)31-21(35)17-19(26)30-20(27)18(25)29-17;1-14(2)37-12-9-28-16-5-3-15(4-6-16)22(36)34-10-7-24(8-11-34)13-29-23(33-24)32-21(35)17-19(26)31-20(27)18(25)30-17;1-12-2-4-13(5-3-12)20-28-14(10-36-20)21(35)33-8-6-23(7-9-33)11-27-22(32-23)31-19(34)15-17(25)30-18(26)16(24)29-15/h3-4,13H,5-12,14H2,1-2H3,(H2,26,29)(H2,28,31,32,36);3-6H,7-11H2,1-2H3,(H4,26,27,30)(H2,28,31,32,35);3-6,14,28H,7-13H2,1-2H3,(H4,26,27,31)(H2,29,32,33,35);2-5,10H,6-9,11H2,1H3,(H4,25,26,30)(H2,27,31,32,34).

What are the key properties of 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 2107.08 g/mol, XLogP of 6.05, 16 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-6-chloro-3-methyl-N-[8-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(2-propan-2-yloxyethylamino)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159851533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).