3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

C177H221Cl7N58O27 — CID 158056416

IUPAC3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESC=CCOc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cn1.COCCOCOc1ccc(CC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.COCCOCOc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCCOC5CCCCO5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCc5ccncc5)cc4)CC3)N2)nc1Cl
InChIInChI=1S/C28H37ClN8O5.C27H30ClN9O3.C25H33ClN8O5.C25H31ClN8O3.C24H30ClN9O3.C24H31ClN8O5.C24H29ClN8O3/c29-23-25(31)34-24(30)22(33-23)26(39)35-27-32-17-28(36-27)10-12-37(13-11-28)20(38)9-6-18-4-7-19(8-5-18)40-15-16-42-21-3-1-2-14-41-21;28-22-24(30)34-23(29)21(33-22)25(39)35-26-32-16-27(36-26)9-13-37(14-10-27)20(38)6-3-17-1-4-19(5-2-17)40-15-18-7-11-31-12-8-18;1-37-12-13-38-15-39-17-5-2-16(3-6-17)4-7-18(35)34-10-8-25(9-11-34)14-29-24(33-25)32-23(36)19-21(27)31-22(28)20(26)30-19;1-14(2)11-17(35)12-15-3-5-16(6-4-15)23(37)34-9-7-25(8-10-34)13-29-24(33-25)32-22(36)18-20(27)31-21(28)19(26)30-18;1-13(2)9-16(35)10-15-4-3-14(11-28-15)22(37)34-7-5-24(6-8-34)12-29-23(33-24)32-21(36)17-19(26)31-20(27)18(25)30-17;1-36-10-11-37-14-38-16-4-2-15(3-5-16)12-17(34)33-8-6-24(7-9-33)13-28-23(32-24)31-22(35)18-20(26)30-21(27)19(25)29-18;1-2-13-36-16-6-3-15(4-7-16)5-8-17(34)33-11-9-24(10-12-33)14-28-23(32-24)31-22(35)18-20(26)30-21(27)19(25)29-18/h4-5,7-8,21H,1-3,6,9-17H2,(H4,30,31,34)(H2,32,35,36,39);1-2,4-5,7-8,11-12H,3,6,9-10,13-16H2,(H4,29,30,34)(H2,32,35,36,39);2-3,5-6H,4,7-15H2,1H3,(H4,27,28,31)(H2,29,32,33,36);3-6,14H,7-13H2,1-2H3,(H4,27,28,31)(H2,29,32,33,36);3-4,11,13H,5-10,12H2,1-2H3,(H4,26,27,31)(H2,29,32,33,36);2-5H,6-14H2,1H3,(H4,26,27,30)(H2,28,31,32,35);2-4,6-7H,1,5,8-14H2,(H4,26,27,30)(H2,28,31,32,35)
InChIKeyFKCKTCOWRMZONQ-UHFFFAOYSA-N
MW3841.26 g/mol
LogP9.98
Rot. Bonds54

About 3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (PubChem CID 158056416) has the molecular formula C177H221Cl7N58O27 and a molecular weight of 3841.26 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
PubChem CID158056416
Molecular FormulaC177H221Cl7N58O27
Molecular Weight3841.26 g/mol
Exact Mass3835.55
IUPAC Name3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide
SMILESC=CCOc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cn1.COCCOCOc1ccc(CC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.COCCOCOc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCCOC5CCCCO5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCc5ccncc5)cc4)CC3)N2)nc1Cl
InChIInChI=1S/C28H37ClN8O5.C27H30ClN9O3.C25H33ClN8O5.C25H31ClN8O3.C24H30ClN9O3.C24H31ClN8O5.C24H29ClN8O3/c29-23-25(31)34-24(30)22(33-23)26(39)35-27-32-17-28(36-27)10-12-37(13-11-28)20(38)9-6-18-4-7-19(8-5-18)40-15-16-42-21-3-1-2-14-41-21;28-22-24(30)34-23(29)21(33-22)25(39)35-26-32-16-27(36-26)9-13-37(14-10-27)20(38)6-3-17-1-4-19(5-2-17)40-15-18-7-11-31-12-8-18;1-37-12-13-38-15-39-17-5-2-16(3-6-17)4-7-18(35)34-10-8-25(9-11-34)14-29-24(33-25)32-23(36)19-21(27)31-22(28)20(26)30-19;1-14(2)11-17(35)12-15-3-5-16(6-4-15)23(37)34-9-7-25(8-10-34)13-29-24(33-25)32-22(36)18-20(27)31-21(28)19(26)30-18;1-13(2)9-16(35)10-15-4-3-14(11-28-15)22(37)34-7-5-24(6-8-34)12-29-23(33-24)32-21(36)17-19(26)31-20(27)18(25)30-17;1-36-10-11-37-14-38-16-4-2-15(3-5-16)12-17(34)33-8-6-24(7-9-33)13-28-23(32-24)31-22(35)18-20(26)30-21(27)19(25)29-18;1-2-13-36-16-6-3-15(4-7-16)5-8-17(34)33-11-9-24(10-12-33)14-28-23(32-24)31-22(35)18-20(26)30-21(27)19(25)29-18/h4-5,7-8,21H,1-3,6,9-17H2,(H4,30,31,34)(H2,32,35,36,39);1-2,4-5,7-8,11-12H,3,6,9-10,13-16H2,(H4,29,30,34)(H2,32,35,36,39);2-3,5-6H,4,7-15H2,1H3,(H4,27,28,31)(H2,29,32,33,36);3-6,14H,7-13H2,1-2H3,(H4,27,28,31)(H2,29,32,33,36);3-4,11,13H,5-10,12H2,1-2H3,(H4,26,27,31)(H2,29,32,33,36);2-5H,6-14H2,1H3,(H4,26,27,30)(H2,28,31,32,35);2-4,6-7H,1,5,8-14H2,(H4,26,27,30)(H2,28,31,32,35)
InChIKeyFKCKTCOWRMZONQ-UHFFFAOYSA-N
XLogP9.98
TPSA1222.79 Ų
H-Bond Donors28
H-Bond Acceptors71
Rotatable Bonds54
Heavy Atoms269
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003841.26
LogP ≤ 59.98
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1071

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-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-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide (CID 158056416) is 3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-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-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-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-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is C=CCOc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.CC(C)CC(=O)Cc1ccc(C(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cn1.COCCOCOc1ccc(CC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.COCCOCOc1ccc(CCC(=O)N2CCC3(CC2)CN=C(NC(=O)c2nc(Cl)c(N)nc2N)N3)cc1.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCCOC5CCCCO5)cc4)CC3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NCC3(CCN(C(=O)CCc4ccc(OCc5ccncc5)cc4)CC3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
The InChIKey is FKCKTCOWRMZONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN8O5.C27H30ClN9O3.C25H33ClN8O5.C25H31ClN8O3.C24H30ClN9O3.C24H31ClN8O5.C24H29ClN8O3/c29-23-25(31)34-24(30)22(33-23)26(39)35-27-32-17-28(36-27)10-12-37(13-11-28)20(38)9-6-18-4-7-19(8-5-18)40-15-16-42-21-3-1-2-14-41-21;28-22-24(30)34-23(29)21(33-22)25(39)35-26-32-16-27(36-26)9-13-37(14-10-27)20(38)6-3-17-1-4-19(5-2-17)40-15-18-7-11-31-12-8-18;1-37-12-13-38-15-39-17-5-2-16(3-6-17)4-7-18(35)34-10-8-25(9-11-34)14-29-24(33-25)32-23(36)19-21(27)31-22(28)20(26)30-19;1-14(2)11-17(35)12-15-3-5-16(6-4-15)23(37)34-9-7-25(8-10-34)13-29-24(33-25)32-22(36)18-20(27)31-21(28)19(26)30-18;1-13(2)9-16(35)10-15-4-3-14(11-28-15)22(37)34-7-5-24(6-8-34)12-29-23(33-24)32-21(36)17-19(26)31-20(27)18(25)30-17;1-36-10-11-37-14-38-16-4-2-15(3-5-16)12-17(34)33-8-6-24(7-9-33)13-28-23(32-24)31-22(35)18-20(26)30-21(27)19(25)29-18;1-2-13-36-16-6-3-15(4-7-16)5-8-17(34)33-11-9-24(10-12-33)14-28-23(32-24)31-22(35)18-20(26)30-21(27)19(25)29-18/h4-5,7-8,21H,1-3,6,9-17H2,(H4,30,31,34)(H2,32,35,36,39);1-2,4-5,7-8,11-12H,3,6,9-10,13-16H2,(H4,29,30,34)(H2,32,35,36,39);2-3,5-6H,4,7-15H2,1H3,(H4,27,28,31)(H2,29,32,33,36);3-6,14H,7-13H2,1-2H3,(H4,27,28,31)(H2,29,32,33,36);3-4,11,13H,5-10,12H2,1-2H3,(H4,26,27,31)(H2,29,32,33,36);2-5H,6-14H2,1H3,(H4,26,27,30)(H2,28,31,32,35);2-4,6-7H,1,5,8-14H2,(H4,26,27,30)(H2,28,31,32,35).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide has a molecular weight of 3841.26 g/mol, XLogP of 9.98, 54 rotatable bonds, 28 hydrogen bond donors, and 71 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[2-[4-(2-methoxyethoxymethoxy)phenyl]acetyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(2-methoxyethoxymethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[4-(4-methyl-2-oxopentyl)benzoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[6-(4-methyl-2-oxopentyl)pyridine-3-carbonyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-(4-prop-2-enoxyphenyl)propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[3-[4-(pyridin-4-ylmethoxy)phenyl]propanoyl]-1,3,8-triazaspiro[4.5]dec-2-en-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158056416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).