3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C124H137Cl6N41O18 — CID 159189201

About 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 159189201) has the molecular formula C124H137Cl6N41O18 and a molecular weight of 2702.45 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
• PubChem CID: 159189201
• Molecular Formula: C124H137Cl6N41O18
• Molecular Weight: 2702.45 g/mol
• Exact Mass: 2697.92
• IUPAC Name: 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
• SMILES: Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCCCc5ccc(OC[C@@H](O)CO)cc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCc5ccc6cc(OC[C@@H](O)CO)ccc6c5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)N2)nc1Cl
• InChI: InChI=1S/C33H35ClN8O6.C31H37ClN8O6.C21H22ClN9O2.C20H23ClN8O2.C19H20Cl2N8O2/c34-27-29(36)39-28(35)26(38-27)30(45)40-32-37-18-33(41-32)9-11-42(12-10-33)31(46)20-3-6-24(7-4-20)47-16-19-1-2-22-14-25(8-5-21(22)13-19)48-17-23(44)15-43;32-25-27(34)37-26(33)24(36-25)28(43)38-30-35-18-31(39-30)11-13-40(14-12-31)29(44)20-5-9-22(10-6-20)45-15-1-2-19-3-7-23(8-4-19)46-17-21(42)16-41;22-15-17(24)28-16(23)14(27-15)18(32)29-20-26-10-21(30-20)4-7-31(8-5-21)19(33)12-1-2-13-11(9-12)3-6-25-13;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;20-11-3-1-10(2-4-11)17(31)29-7-5-19(6-8-29)9-24-18(28-19)27-16(30)12-14(22)26-15(23)13(21)25-12/h1-8,13-14,23,43-44H,9-12,15-18H2,(H4,35,36,39)(H2,37,40,41,45);3-10,21,41-42H,1-2,11-18H2,(H4,33,34,37)(H2,35,38,39,43);1-3,6,9,25H,4-5,7-8,10H2,(H4,23,24,28)(H2,26,29,30,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-4H,5-9H2,(H4,22,23,26)(H2,24,27,28,30)/t23-;21-;;;/m00.../s1
• InChIKey: KNWIKCOLTSGELL-WIIVLJOFSA-N
• XLogP: 6.56
• TPSA: 891.73 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 48
• Rotatable Bonds: 27
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2702.45
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The IUPAC name of 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 159189201) is 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The canonical SMILES for 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)Cc4ccccc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCCCc5ccc(OC[C@@H](O)CO)cc5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc(OCc5ccc6cc(OC[C@@H](O)CO)ccc6c5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)c4ccc5[nH]ccc5c4)CC3)N2)nc1Cl.

What is the InChIKey of 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

The InChIKey is KNWIKCOLTSGELL-WIIVLJOFSA-N. The full InChI is InChI=1S/C33H35ClN8O6.C31H37ClN8O6.C21H22ClN9O2.C20H23ClN8O2.C19H20Cl2N8O2/c34-27-29(36)39-28(35)26(38-27)30(45)40-32-37-18-33(41-32)9-11-42(12-10-33)31(46)20-3-6-24(7-4-20)47-16-19-1-2-22-14-25(8-5-21(22)13-19)48-17-23(44)15-43;32-25-27(34)37-26(33)24(36-25)28(43)38-30-35-18-31(39-30)11-13-40(14-12-31)29(44)20-5-9-22(10-6-20)45-15-1-2-19-3-7-23(8-4-19)46-17-21(42)16-41;22-15-17(24)28-16(23)14(27-15)18(32)29-20-26-10-21(30-20)4-7-31(8-5-21)19(33)12-1-2-13-11(9-12)3-6-25-13;21-15-17(23)26-16(22)14(25-15)18(31)27-19-24-11-20(28-19)6-8-29(9-7-20)13(30)10-12-4-2-1-3-5-12;20-11-3-1-10(2-4-11)17(31)29-7-5-19(6-8-29)9-24-18(28-19)27-16(30)12-14(22)26-15(23)13(21)25-12/h1-8,13-14,23,43-44H,9-12,15-18H2,(H4,35,36,39)(H2,37,40,41,45);3-10,21,41-42H,1-2,11-18H2,(H4,33,34,37)(H2,35,38,39,43);1-3,6,9,25H,4-5,7-8,10H2,(H4,23,24,28)(H2,26,29,30,32);1-5H,6-11H2,(H4,22,23,26)(H2,24,27,28,31);1-4H,5-9H2,(H4,22,23,26)(H2,24,27,28,30)/t23-;21-;;;/m00.../s1.

What are the key properties of 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?

3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 2702.45 g/mol, XLogP of 6.56, 27 rotatable bonds, 25 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-diamino-6-chloro-N-[8-(4-chlorobenzoyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[[6-[(2S)-2,3-dihydroxypropoxy]naphthalen-2-yl]methoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propoxy]benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indole-5-carbonyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(2-phenylacetyl)-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 159189201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).