1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea

C116H129N47O9 — CID 160925169

IUPAC1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(-n4ccnc4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(N4CCCC4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(N4CCOCC4)nc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(CN(CC)CC)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3cccc(-c4nn[nH]n4)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3cccc(N4CCOCC4)c3)nc2n1
InChIInChI=1S/C21H27N7O2.C20H23N7O2.C20H23N7O.C19H22N8O2.C19H18N8O.C17H16N10O/c1-4-22-21(30)27-18-10-8-16-20(25-18)26-19(12-23-16)24-15-7-9-17(29)14(11-15)13-28(5-2)6-3;1-2-21-20(28)26-17-7-6-16-19(24-17)25-18(13-22-16)23-14-4-3-5-15(12-14)27-8-10-29-11-9-27;1-2-21-20(28)26-17-10-9-16-19(24-17)25-18(13-22-16)23-14-5-7-15(8-6-14)27-11-3-4-12-27;1-2-20-19(28)26-15-5-4-14-18(24-15)25-16(12-21-14)23-13-3-6-17(22-11-13)27-7-9-29-10-8-27;1-2-21-19(28)26-16-8-7-15-18(24-16)25-17(11-22-15)23-13-3-5-14(6-4-13)27-10-9-20-12-27;1-2-18-17(28)23-13-7-6-12-16(21-13)22-14(9-19-12)20-11-5-3-4-10(8-11)15-24-26-27-25-15/h7-12,29H,4-6,13H2,1-3H3,(H3,22,24,25,26,27,30);3-7,12-13H,2,8-11H2,1H3,(H3,21,23,24,25,26,28);5-10,13H,2-4,11-12H2,1H3,(H3,21,23,24,25,26,28);3-6,11-12H,2,7-10H2,1H3,(H3,20,23,24,25,26,28);3-12H,2H2,1H3,(H3,21,23,24,25,26,28);3-9H,2H2,1H3,(H,24,25,26,27)(H3,18,20,21,22,23,28)
InChIKeySSNSZMXGLHNDBN-UHFFFAOYSA-N
MW2325.63 g/mol
LogP17.04
Rot. Bonds33

About 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea

1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 160925169) has the molecular formula C116H129N47O9 and a molecular weight of 2325.63 g/mol. Its IUPAC name is 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea.

Molecular Properties

Compound Name1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea
PubChem CID160925169
Molecular FormulaC116H129N47O9
Molecular Weight2325.63 g/mol
Exact Mass2324.11
IUPAC Name1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea
SMILESCCNC(=O)Nc1ccc2ncc(Nc3ccc(-n4ccnc4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(N4CCCC4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(N4CCOCC4)nc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(CN(CC)CC)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3cccc(-c4nn[nH]n4)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3cccc(N4CCOCC4)c3)nc2n1
InChIInChI=1S/C21H27N7O2.C20H23N7O2.C20H23N7O.C19H22N8O2.C19H18N8O.C17H16N10O/c1-4-22-21(30)27-18-10-8-16-20(25-18)26-19(12-23-16)24-15-7-9-17(29)14(11-15)13-28(5-2)6-3;1-2-21-20(28)26-17-7-6-16-19(24-17)25-18(13-22-16)23-14-4-3-5-15(12-14)27-8-10-29-11-9-27;1-2-21-20(28)26-17-10-9-16-19(24-17)25-18(13-22-16)23-14-5-7-15(8-6-14)27-11-3-4-12-27;1-2-20-19(28)26-15-5-4-14-18(24-15)25-16(12-21-14)23-13-3-6-17(22-11-13)27-7-9-29-10-8-27;1-2-21-19(28)26-16-8-7-15-18(24-16)25-17(11-22-15)23-13-3-5-14(6-4-13)27-10-9-20-12-27;1-2-18-17(28)23-13-7-6-12-16(21-13)22-14(9-19-12)20-11-5-3-4-10(8-11)15-24-26-27-25-15/h7-12,29H,4-6,13H2,1-3H3,(H3,22,24,25,26,27,30);3-7,12-13H,2,8-11H2,1H3,(H3,21,23,24,25,26,28);5-10,13H,2-4,11-12H2,1H3,(H3,21,23,24,25,26,28);3-6,11-12H,2,7-10H2,1H3,(H3,20,23,24,25,26,28);3-12H,2H2,1H3,(H3,21,23,24,25,26,28);3-9H,2H2,1H3,(H,24,25,26,27)(H3,18,20,21,22,23,28)
InChIKeySSNSZMXGLHNDBN-UHFFFAOYSA-N
XLogP17.04
TPSA687.80 Ų
H-Bond Donors20
H-Bond Acceptors43
Rotatable Bonds33
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002325.63
LogP ≤ 517.04
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea?
The IUPAC name of 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea (CID 160925169) is 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea.
What is the SMILES notation for 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea?
The canonical SMILES for 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea is CCNC(=O)Nc1ccc2ncc(Nc3ccc(-n4ccnc4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(N4CCCC4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(N4CCOCC4)nc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3ccc(O)c(CN(CC)CC)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3cccc(-c4nn[nH]n4)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(Nc3cccc(N4CCOCC4)c3)nc2n1.
What is the InChIKey of 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea?
The InChIKey is SSNSZMXGLHNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2.C20H23N7O2.C20H23N7O.C19H22N8O2.C19H18N8O.C17H16N10O/c1-4-22-21(30)27-18-10-8-16-20(25-18)26-19(12-23-16)24-15-7-9-17(29)14(11-15)13-28(5-2)6-3;1-2-21-20(28)26-17-7-6-16-19(24-17)25-18(13-22-16)23-14-4-3-5-15(12-14)27-8-10-29-11-9-27;1-2-21-20(28)26-17-10-9-16-19(24-17)25-18(13-22-16)23-14-5-7-15(8-6-14)27-11-3-4-12-27;1-2-20-19(28)26-15-5-4-14-18(24-15)25-16(12-21-14)23-13-3-6-17(22-11-13)27-7-9-29-10-8-27;1-2-21-19(28)26-16-8-7-15-18(24-16)25-17(11-22-15)23-13-3-5-14(6-4-13)27-10-9-20-12-27;1-2-18-17(28)23-13-7-6-12-16(21-13)22-14(9-19-12)20-11-5-3-4-10(8-11)15-24-26-27-25-15/h7-12,29H,4-6,13H2,1-3H3,(H3,22,24,25,26,27,30);3-7,12-13H,2,8-11H2,1H3,(H3,21,23,24,25,26,28);5-10,13H,2-4,11-12H2,1H3,(H3,21,23,24,25,26,28);3-6,11-12H,2,7-10H2,1H3,(H3,20,23,24,25,26,28);3-12H,2H2,1H3,(H3,21,23,24,25,26,28);3-9H,2H2,1H3,(H,24,25,26,27)(H3,18,20,21,22,23,28).
What are the key properties of 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea?
1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea has a molecular weight of 2325.63 g/mol, XLogP of 17.04, 33 rotatable bonds, 20 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(diethylaminomethyl)-4-hydroxyanilino]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-imidazol-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(3-morpholin-4-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-pyrrolidin-1-ylanilino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[3-(2H-tetrazol-5-yl)anilino]pyrido[2,3-b]pyrazin-6-yl]urea is sourced from PubChem (CID 160925169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).