1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate

C142H128N42O14S3 — CID 159631936

IUPAC1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate
SMILESC/C=C/NC(=S)Nc1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2n1.C=CCNC(=O)Nc1ccc2ncc(-c3ccc(OS(C)(=O)=O)cc3)nc2n1.C=CCNC(=S)Nc1ccc2nc(-c3ccc(O)cc3)cnc2n1.CCNC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2n1.CCNC(=O)Nc1ccc2nc(C)c(C)nc2n1.CNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.CNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.O=C(NCCc1ccccc1)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C23H19N5O2S.C22H19N5O.C20H17N7O.C18H17N5O4S.C17H15N5OS.2C15H13N5O2.C12H15N5O/c1-2-13-24-23(31)27-19-12-11-18-22(26-19)28-21(15-5-9-17(30)10-6-15)20(25-18)14-3-7-16(29)8-4-14;28-22(23-14-13-16-7-3-1-4-8-16)27-20-12-11-18-21(26-20)25-19(15-24-18)17-9-5-2-6-10-17;1-2-21-20(28)26-16-10-9-15-19(25-16)27-18(14-8-4-6-12-23-14)17(24-15)13-7-3-5-11-22-13;1-3-10-19-18(24)23-16-9-8-14-17(22-16)21-15(11-20-14)12-4-6-13(7-5-12)27-28(2,25)26;1-2-9-18-17(24)22-15-8-7-13-16(21-15)19-10-14(20-13)11-3-5-12(23)6-4-11;2*1-16-15(22)20-13-7-6-11-14(19-13)18-12(8-17-11)9-2-4-10(21)5-3-9;1-4-13-12(18)17-10-6-5-9-11(16-10)15-8(3)7(2)14-9/h2-13,29-30H,1H3,(H2,24,26,27,28,31);1-12,15H,13-14H2,(H2,23,25,26,27,28);3-12H,2H2,1H3,(H2,21,25,26,27,28);3-9,11H,1,10H2,2H3,(H2,19,21,22,23,24);2-8,10,23H,1,9H2,(H2,18,19,21,22,24);2*2-8,21H,1H3,(H2,16,18,19,20,22);5-6H,4H2,1-3H3,(H2,13,15,16,17,18)/b13-2+;;;;;;;
InChIKeyMPFUCEIABLFGPL-ALBCJKTKSA-N
MW2743.07 g/mol
LogP23.22
Rot. Bonds29

About 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate

1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate (PubChem CID 159631936) has the molecular formula C142H128N42O14S3 and a molecular weight of 2743.07 g/mol. Its IUPAC name is 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate.

Molecular Properties

Compound Name1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate
PubChem CID159631936
Molecular FormulaC142H128N42O14S3
Molecular Weight2743.07 g/mol
Exact Mass2740.98
IUPAC Name1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate
SMILESC/C=C/NC(=S)Nc1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2n1.C=CCNC(=O)Nc1ccc2ncc(-c3ccc(OS(C)(=O)=O)cc3)nc2n1.C=CCNC(=S)Nc1ccc2nc(-c3ccc(O)cc3)cnc2n1.CCNC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2n1.CCNC(=O)Nc1ccc2nc(C)c(C)nc2n1.CNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.CNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.O=C(NCCc1ccccc1)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C23H19N5O2S.C22H19N5O.C20H17N7O.C18H17N5O4S.C17H15N5OS.2C15H13N5O2.C12H15N5O/c1-2-13-24-23(31)27-19-12-11-18-22(26-19)28-21(15-5-9-17(30)10-6-15)20(25-18)14-3-7-16(29)8-4-14;28-22(23-14-13-16-7-3-1-4-8-16)27-20-12-11-18-21(26-20)25-19(15-24-18)17-9-5-2-6-10-17;1-2-21-20(28)26-16-10-9-15-19(25-16)27-18(14-8-4-6-12-23-14)17(24-15)13-7-3-5-11-22-13;1-3-10-19-18(24)23-16-9-8-14-17(22-16)21-15(11-20-14)12-4-6-13(7-5-12)27-28(2,25)26;1-2-9-18-17(24)22-15-8-7-13-16(21-15)19-10-14(20-13)11-3-5-12(23)6-4-11;2*1-16-15(22)20-13-7-6-11-14(19-13)18-12(8-17-11)9-2-4-10(21)5-3-9;1-4-13-12(18)17-10-6-5-9-11(16-10)15-8(3)7(2)14-9/h2-13,29-30H,1H3,(H2,24,26,27,28,31);1-12,15H,13-14H2,(H2,23,25,26,27,28);3-12H,2H2,1H3,(H2,21,25,26,27,28);3-9,11H,1,10H2,2H3,(H2,19,21,22,23,24);2-8,10,23H,1,9H2,(H2,18,19,21,22,24);2*2-8,21H,1H3,(H2,16,18,19,20,22);5-6H,4H2,1-3H3,(H2,13,15,16,17,18)/b13-2+;;;;;;;
InChIKeyMPFUCEIABLFGPL-ALBCJKTKSA-N
XLogP23.22
TPSA774.56 Ų
H-Bond Donors21
H-Bond Acceptors42
Rotatable Bonds29
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002743.07
LogP ≤ 523.22
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate 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-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate?
The IUPAC name of 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate (CID 159631936) is 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate.
What is the SMILES notation for 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate?
The canonical SMILES for 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate is C/C=C/NC(=S)Nc1ccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc2n1.C=CCNC(=O)Nc1ccc2ncc(-c3ccc(OS(C)(=O)=O)cc3)nc2n1.C=CCNC(=S)Nc1ccc2nc(-c3ccc(O)cc3)cnc2n1.CCNC(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2n1.CCNC(=O)Nc1ccc2nc(C)c(C)nc2n1.CNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.CNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.O=C(NCCc1ccccc1)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate?
The InChIKey is MPFUCEIABLFGPL-ALBCJKTKSA-N. The full InChI is InChI=1S/C23H19N5O2S.C22H19N5O.C20H17N7O.C18H17N5O4S.C17H15N5OS.2C15H13N5O2.C12H15N5O/c1-2-13-24-23(31)27-19-12-11-18-22(26-19)28-21(15-5-9-17(30)10-6-15)20(25-18)14-3-7-16(29)8-4-14;28-22(23-14-13-16-7-3-1-4-8-16)27-20-12-11-18-21(26-20)25-19(15-24-18)17-9-5-2-6-10-17;1-2-21-20(28)26-16-10-9-15-19(25-16)27-18(14-8-4-6-12-23-14)17(24-15)13-7-3-5-11-22-13;1-3-10-19-18(24)23-16-9-8-14-17(22-16)21-15(11-20-14)12-4-6-13(7-5-12)27-28(2,25)26;1-2-9-18-17(24)22-15-8-7-13-16(21-15)19-10-14(20-13)11-3-5-12(23)6-4-11;2*1-16-15(22)20-13-7-6-11-14(19-13)18-12(8-17-11)9-2-4-10(21)5-3-9;1-4-13-12(18)17-10-6-5-9-11(16-10)15-8(3)7(2)14-9/h2-13,29-30H,1H3,(H2,24,26,27,28,31);1-12,15H,13-14H2,(H2,23,25,26,27,28);3-12H,2H2,1H3,(H2,21,25,26,27,28);3-9,11H,1,10H2,2H3,(H2,19,21,22,23,24);2-8,10,23H,1,9H2,(H2,18,19,21,22,24);2*2-8,21H,1H3,(H2,16,18,19,20,22);5-6H,4H2,1-3H3,(H2,13,15,16,17,18)/b13-2+;;;;;;;.
What are the key properties of 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate?
1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate has a molecular weight of 2743.07 g/mol, XLogP of 23.22, 29 rotatable bonds, 21 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-[(E)-prop-1-enyl]thiourea;1-(2,3-dimethylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-(2,3-dipyridin-2-ylpyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;bis(1-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylurea);1-[2-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylthiourea;1-(2-phenylethyl)-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] methanesulfonate is sourced from PubChem (CID 159631936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).