3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide

C137H173Cl7N50O24 — CID 158052271

IUPAC3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(O)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OCC(=O)N4CCOCC4)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OC[C@@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OC[C@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(O)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(OC[C@@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(OC[C@H](O)CO)cc3)N2)nc1Cl
InChIInChI=1S/C23H29ClN8O4.4C20H26ClN7O4.2C17H20ClN7O2/c24-19-21(26)30-20(25)18(29-19)22(34)31-23-27-12-15(28-23)3-1-2-14-4-6-16(7-5-14)36-13-17(33)32-8-10-35-11-9-32;4*21-16-18(23)27-17(22)15(26-16)19(31)28-20-24-8-12(25-20)3-1-2-11-4-6-14(7-5-11)32-10-13(30)9-29;2*18-13-15(20)24-14(19)12(23-13)16(27)25-17-21-8-10(22-17)3-1-2-9-4-6-11(26)7-5-9/h4-7,15H,1-3,8-13H2,(H4,25,26,30)(H2,27,28,31,34);4*4-7,12-13,29-30H,1-3,8-10H2,(H4,22,23,27)(H2,24,25,28,31);2*4-7,10,26H,1-3,8H2,(H4,19,20,24)(H2,21,22,25,27)/t15-;2*12-,13+;2*12-,13-;2*10-/m1101010/s1
InChIKeyFJPVXZVRSSWCJT-MXPIHQSSSA-N
MW3152.39 g/mol
LogP3.20
Rot. Bonds54

About 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide

3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide (PubChem CID 158052271) has the molecular formula C137H173Cl7N50O24 and a molecular weight of 3152.39 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
PubChem CID158052271
Molecular FormulaC137H173Cl7N50O24
Molecular Weight3152.39 g/mol
Exact Mass3147.17
IUPAC Name3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide
SMILESNc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(O)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OCC(=O)N4CCOCC4)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OC[C@@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OC[C@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(O)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(OC[C@@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(OC[C@H](O)CO)cc3)N2)nc1Cl
InChIInChI=1S/C23H29ClN8O4.4C20H26ClN7O4.2C17H20ClN7O2/c24-19-21(26)30-20(25)18(29-19)22(34)31-23-27-12-15(28-23)3-1-2-14-4-6-16(7-5-14)36-13-17(33)32-8-10-35-11-9-32;4*21-16-18(23)27-17(22)15(26-16)19(31)28-20-24-8-12(25-20)3-1-2-11-4-6-14(7-5-11)32-10-13(30)9-29;2*18-13-15(20)24-14(19)12(23-13)16(27)25-17-21-8-10(22-17)3-1-2-9-4-6-11(26)7-5-9/h4-7,15H,1-3,8-13H2,(H4,25,26,30)(H2,27,28,31,34);4*4-7,12-13,29-30H,1-3,8-10H2,(H4,22,23,27)(H2,24,25,28,31);2*4-7,10,26H,1-3,8H2,(H4,19,20,24)(H2,21,22,25,27)/t15-;2*12-,13+;2*12-,13-;2*10-/m1101010/s1
InChIKeyFJPVXZVRSSWCJT-MXPIHQSSSA-N
XLogP3.20
TPSA1197.16 Ų
H-Bond Donors38
H-Bond Acceptors66
Rotatable Bonds54
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003152.39
LogP ≤ 53.20
H-Bond Donors ≤ 538
H-Bond Acceptors ≤ 1066

Analyze 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-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-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide (CID 158052271) is 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide is Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(O)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OCC(=O)N4CCOCC4)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OC[C@@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@@H](CCCc3ccc(OC[C@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(O)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(OC[C@@H](O)CO)cc3)N2)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC[C@H](CCCc3ccc(OC[C@H](O)CO)cc3)N2)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?
The InChIKey is FJPVXZVRSSWCJT-MXPIHQSSSA-N. The full InChI is InChI=1S/C23H29ClN8O4.4C20H26ClN7O4.2C17H20ClN7O2/c24-19-21(26)30-20(25)18(29-19)22(34)31-23-27-12-15(28-23)3-1-2-14-4-6-16(7-5-14)36-13-17(33)32-8-10-35-11-9-32;4*21-16-18(23)27-17(22)15(26-16)19(31)28-20-24-8-12(25-20)3-1-2-11-4-6-14(7-5-11)32-10-13(30)9-29;2*18-13-15(20)24-14(19)12(23-13)16(27)25-17-21-8-10(22-17)3-1-2-9-4-6-11(26)7-5-9/h4-7,15H,1-3,8-13H2,(H4,25,26,30)(H2,27,28,31,34);4*4-7,12-13,29-30H,1-3,8-10H2,(H4,22,23,27)(H2,24,25,28,31);2*4-7,10,26H,1-3,8H2,(H4,19,20,24)(H2,21,22,25,27)/t15-;2*12-,13+;2*12-,13-;2*10-/m1101010/s1.
What are the key properties of 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide?
3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide has a molecular weight of 3152.39 g/mol, XLogP of 3.20, 54 rotatable bonds, 38 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2R)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5S)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-(4-hydroxyphenyl)propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[(5R)-5-[3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]propyl]-4,5-dihydro-1H-imidazol-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 158052271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).