bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide

C134H174Cl7N59O15 — CID 159272699

About bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide

bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide (PubChem CID 159272699) has the molecular formula C134H174Cl7N59O15 and a molecular weight of 3099.44 g/mol. Its IUPAC name is bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide
• PubChem CID: 159272699
• Molecular Formula: C134H174Cl7N59O15
• Molecular Weight: 3099.44 g/mol
• Exact Mass: 3094.25
• IUPAC Name: bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide
• SMILES: Cc1nc(C(=O)NC2=NCC3(CCN(Cc4ccc(C(=O)N5CCC6(CC5)CN=C(NC(=O)c5nc(Cl)c(N)nc5N)N6)cc4)CC3)N2)c(N)nc1N.Cc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCC(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)CC2)CC3)nc1Cl.Cc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCC(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)CC2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCCCCCC(=O)N2CCC4(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N4)CC3)nc1Cl
• InChI: InChI=1S/2C34H44Cl2N14O4.C33H45Cl2N15O4.C33H41ClN16O3/c2*1-17-23(35)43-21(25(37)41-17)28(51)42-20-6-7-33(47-20)8-12-49(13-9-33)30(53)18-2-4-19(5-3-18)31(54)50-14-10-34(11-15-50)16-40-32(48-34)46-29(52)22-26(38)45-27(39)24(36)44-22;34-23-27(38)44-25(36)21(42-23)29(53)41-18-7-8-32(47-18)9-13-49(14-10-32)19(51)5-3-1-2-4-6-20(52)50-15-11-33(12-16-50)17-40-31(48-33)46-30(54)22-26(37)45-28(39)24(35)43-22;1-17-23(35)43-24(36)20(41-17)27(51)45-30-39-15-32(47-30)6-10-49(11-7-32)14-18-2-4-19(5-3-18)29(53)50-12-8-33(9-13-50)16-40-31(48-33)46-28(52)21-25(37)44-26(38)22(34)42-21/h2*18-19H,2-16H2,1H3,(H2,37,41)(H4,38,39,45)(H,42,47,51)(H2,40,46,48,52);1-17H2,(H4,36,38,44)(H4,37,39,45)(H,41,47,53)(H2,40,46,48,54);2-5H,6-16H2,1H3,(H4,35,36,43)(H4,37,38,44)(H2,39,45,47,51)(H2,40,46,48,52)
• InChIKey: KXXIWECGHYUUOP-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 1107.76 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 59
• Rotatable Bonds: 22
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3099.44
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	59

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide?

The IUPAC name of bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide (CID 159272699) is bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide.

What is the SMILES notation for bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide?

The canonical SMILES for bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide is Cc1nc(C(=O)NC2=NCC3(CCN(Cc4ccc(C(=O)N5CCC6(CC5)CN=C(NC(=O)c5nc(Cl)c(N)nc5N)N6)cc4)CC3)N2)c(N)nc1N.Cc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCC(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)CC2)CC3)nc1Cl.Cc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)C2CCC(C(=O)N4CCC5(CC4)CN=C(NC(=O)c4nc(Cl)c(N)nc4N)N5)CC2)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)CCCCCCC(=O)N2CCC4(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N4)CC3)nc1Cl.

What is the InChIKey of bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide?

The InChIKey is KXXIWECGHYUUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C34H44Cl2N14O4.C33H45Cl2N15O4.C33H41ClN16O3/c2*1-17-23(35)43-21(25(37)41-17)28(51)42-20-6-7-33(47-20)8-12-49(13-9-33)30(53)18-2-4-19(5-3-18)31(54)50-14-10-34(11-15-50)16-40-32(48-34)46-29(52)22-26(38)45-27(39)24(36)44-22;34-23-27(38)44-25(36)21(42-23)29(53)41-18-7-8-32(47-18)9-13-49(14-10-32)19(51)5-3-1-2-4-6-20(52)50-15-11-33(12-16-50)17-40-31(48-33)46-30(54)22-26(37)45-28(39)24(35)43-22;1-17-23(35)43-24(36)20(41-17)27(51)45-30-39-15-32(47-30)6-10-49(11-7-32)14-18-2-4-19(5-3-18)29(53)50-12-8-33(9-13-50)16-40-31(48-33)46-28(52)21-25(37)44-26(38)22(34)42-21/h2*18-19H,2-16H2,1H3,(H2,37,41)(H4,38,39,45)(H,42,47,51)(H2,40,46,48,52);1-17H2,(H4,36,38,44)(H4,37,39,45)(H,41,47,53)(H2,40,46,48,54);2-5H,6-16H2,1H3,(H4,35,36,43)(H4,37,38,44)(H2,39,45,47,51)(H2,40,46,48,52).

What are the key properties of bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide?

bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide has a molecular weight of 3099.44 g/mol, XLogP of 3.86, 22 rotatable bonds, 27 hydrogen bond donors, and 59 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-amino-6-chloro-N-[8-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]cyclohexanecarbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]-5-methylpyrazine-2-carboxamide);3,5-diamino-6-chloro-N-[8-[8-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-en-8-yl]-8-oxooctanoyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-N-[8-[[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,3,8-triazaspiro[4.5]dec-2-ene-8-carbonyl]phenyl]methyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]-6-methylpyrazine-2-carboxamide is sourced from PubChem (CID 159272699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).