1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

C185H186ClF4N67O18 — CID 158347301

IUPAC1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESC=CCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3c(C)noc3C)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(F)cc3O)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(F)(F)F)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cccnc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccncc3Cl)nc2c1.CCNC(=O)Nc1ccc2ncc(-c3cncnc3)nc2n1.CCNC(=O)Nc1ccc2ncc(N3CCC(O)CC3)nc2n1.CCNC(=O)Nc1ccc2ncc(N3CCNCC3)nc2n1.CCNC(=O)Nc1ccc2ncc(OC3CCCC3)nc2n1.NC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C17H14F3N5O2.C17H17N5O2.C17H15N5O.C16H14ClN5O.C16H14FN5O2.C15H16N6O2.C15H20N6O2.C15H14N6O.C15H19N5O2.C14H13N7O.C14H19N7O.C14H11N5O/c1-2-21-16(26)25-14-8-7-12-15(24-14)23-13(9-22-12)10-3-5-11(6-4-10)27-17(18,19)20;1-3-18-17(23)22-15-9-8-13-16(21-15)20-14(10-19-13)11-4-6-12(24-2)7-5-11;1-2-10-18-17(23)22-15-9-8-13-16(21-15)20-14(11-19-13)12-6-4-3-5-7-12;1-2-19-16(23)21-10-3-4-13-14(7-10)22-15(9-20-13)11-5-6-18-8-12(11)17;1-2-18-16(24)22-14-6-5-11-15(21-14)20-12(8-19-11)10-4-3-9(17)7-13(10)23;1-4-16-15(22)20-12-6-5-10-14(19-12)18-11(7-17-10)13-8(2)21-23-9(13)3;1-2-16-15(23)19-12-4-3-11-14(18-12)20-13(9-17-11)21-7-5-10(22)6-8-21;1-2-17-15(22)21-13-6-5-11-14(20-13)19-12(9-18-11)10-4-3-7-16-8-10;1-2-16-15(21)19-12-8-7-11-14(18-12)20-13(9-17-11)22-10-5-3-4-6-10;1-2-17-14(22)21-12-4-3-10-13(20-12)19-11(7-18-10)9-5-15-8-16-6-9;1-2-16-14(22)19-11-4-3-10-13(18-11)20-12(9-17-10)21-7-5-15-6-8-21;15-14(20)19-12-7-6-10-13(18-12)17-11(8-16-10)9-4-2-1-3-5-9/h3-9H,2H2,1H3,(H2,21,23,24,25,26);4-10H,3H2,1-2H3,(H2,18,20,21,22,23);2-9,11H,1,10H2,(H2,18,20,21,22,23);3-9H,2H2,1H3,(H2,19,21,23);3-8,23H,2H2,1H3,(H2,18,20,21,22,24);5-7H,4H2,1-3H3,(H2,16,18,19,20,22);3-4,9-10,22H,2,5-8H2,1H3,(H2,16,18,19,20,23);3-9H,2H2,1H3,(H2,17,19,20,21,22);7-10H,2-6H2,1H3,(H2,16,18,19,20,21);3-8H,2H2,1H3,(H2,17,19,20,21,22);3-4,9,15H,2,5-8H2,1H3,(H2,16,18,19,20,22);1-8H,(H3,15,17,18,19,20)
InChIKeyGRWTULBITWLHPT-UHFFFAOYSA-N
MW3747.42 g/mol
LogP28.40
Rot. Bonds39

About 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea

1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (PubChem CID 158347301) has the molecular formula C185H186ClF4N67O18 and a molecular weight of 3747.42 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.

Molecular Properties

Compound Name1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
PubChem CID158347301
Molecular FormulaC185H186ClF4N67O18
Molecular Weight3747.42 g/mol
Exact Mass3744.53
IUPAC Name1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea
SMILESC=CCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3c(C)noc3C)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(F)cc3O)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(F)(F)F)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cccnc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccncc3Cl)nc2c1.CCNC(=O)Nc1ccc2ncc(-c3cncnc3)nc2n1.CCNC(=O)Nc1ccc2ncc(N3CCC(O)CC3)nc2n1.CCNC(=O)Nc1ccc2ncc(N3CCNCC3)nc2n1.CCNC(=O)Nc1ccc2ncc(OC3CCCC3)nc2n1.NC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1
InChIInChI=1S/C17H14F3N5O2.C17H17N5O2.C17H15N5O.C16H14ClN5O.C16H14FN5O2.C15H16N6O2.C15H20N6O2.C15H14N6O.C15H19N5O2.C14H13N7O.C14H19N7O.C14H11N5O/c1-2-21-16(26)25-14-8-7-12-15(24-14)23-13(9-22-12)10-3-5-11(6-4-10)27-17(18,19)20;1-3-18-17(23)22-15-9-8-13-16(21-15)20-14(10-19-13)11-4-6-12(24-2)7-5-11;1-2-10-18-17(23)22-15-9-8-13-16(21-15)20-14(11-19-13)12-6-4-3-5-7-12;1-2-19-16(23)21-10-3-4-13-14(7-10)22-15(9-20-13)11-5-6-18-8-12(11)17;1-2-18-16(24)22-14-6-5-11-15(21-14)20-12(8-19-11)10-4-3-9(17)7-13(10)23;1-4-16-15(22)20-12-6-5-10-14(19-12)18-11(7-17-10)13-8(2)21-23-9(13)3;1-2-16-15(23)19-12-4-3-11-14(18-12)20-13(9-17-11)21-7-5-10(22)6-8-21;1-2-17-15(22)21-13-6-5-11-14(20-13)19-12(9-18-11)10-4-3-7-16-8-10;1-2-16-15(21)19-12-8-7-11-14(18-12)20-13(9-17-11)22-10-5-3-4-6-10;1-2-17-14(22)21-12-4-3-10-13(20-12)19-11(7-18-10)9-5-15-8-16-6-9;1-2-16-14(22)19-11-4-3-10-13(18-11)20-12(9-17-10)21-7-5-15-6-8-21;15-14(20)19-12-7-6-10-13(18-12)17-11(8-16-10)9-4-2-1-3-5-9/h3-9H,2H2,1H3,(H2,21,23,24,25,26);4-10H,3H2,1-2H3,(H2,18,20,21,22,23);2-9,11H,1,10H2,(H2,18,20,21,22,23);3-9H,2H2,1H3,(H2,19,21,23);3-8,23H,2H2,1H3,(H2,18,20,21,22,24);5-7H,4H2,1-3H3,(H2,16,18,19,20,22);3-4,9-10,22H,2,5-8H2,1H3,(H2,16,18,19,20,23);3-9H,2H2,1H3,(H2,17,19,20,21,22);7-10H,2-6H2,1H3,(H2,16,18,19,20,21);3-8H,2H2,1H3,(H2,17,19,20,21,22);3-4,9,15H,2,5-8H2,1H3,(H2,16,18,19,20,22);1-8H,(H3,15,17,18,19,20)
InChIKeyGRWTULBITWLHPT-UHFFFAOYSA-N
XLogP28.40
TPSA1122.95 Ų
H-Bond Donors27
H-Bond Acceptors61
Rotatable Bonds39
Heavy Atoms275
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003747.42
LogP ≤ 528.40
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

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

Analyze 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The IUPAC name of 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea (CID 158347301) is 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea.
What is the SMILES notation for 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The canonical SMILES for 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is C=CCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3c(C)noc3C)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(F)cc3O)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(F)(F)F)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3cccnc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccncc3Cl)nc2c1.CCNC(=O)Nc1ccc2ncc(-c3cncnc3)nc2n1.CCNC(=O)Nc1ccc2ncc(N3CCC(O)CC3)nc2n1.CCNC(=O)Nc1ccc2ncc(N3CCNCC3)nc2n1.CCNC(=O)Nc1ccc2ncc(OC3CCCC3)nc2n1.NC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.
What is the InChIKey of 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
The InChIKey is GRWTULBITWLHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2.C17H17N5O2.C17H15N5O.C16H14ClN5O.C16H14FN5O2.C15H16N6O2.C15H20N6O2.C15H14N6O.C15H19N5O2.C14H13N7O.C14H19N7O.C14H11N5O/c1-2-21-16(26)25-14-8-7-12-15(24-14)23-13(9-22-12)10-3-5-11(6-4-10)27-17(18,19)20;1-3-18-17(23)22-15-9-8-13-16(21-15)20-14(10-19-13)11-4-6-12(24-2)7-5-11;1-2-10-18-17(23)22-15-9-8-13-16(21-15)20-14(11-19-13)12-6-4-3-5-7-12;1-2-19-16(23)21-10-3-4-13-14(7-10)22-15(9-20-13)11-5-6-18-8-12(11)17;1-2-18-16(24)22-14-6-5-11-15(21-14)20-12(8-19-11)10-4-3-9(17)7-13(10)23;1-4-16-15(22)20-12-6-5-10-14(19-12)18-11(7-17-10)13-8(2)21-23-9(13)3;1-2-16-15(23)19-12-4-3-11-14(18-12)20-13(9-17-11)21-7-5-10(22)6-8-21;1-2-17-15(22)21-13-6-5-11-14(20-13)19-12(9-18-11)10-4-3-7-16-8-10;1-2-16-15(21)19-12-8-7-11-14(18-12)20-13(9-17-11)22-10-5-3-4-6-10;1-2-17-14(22)21-12-4-3-10-13(20-12)19-11(7-18-10)9-5-15-8-16-6-9;1-2-16-14(22)19-11-4-3-10-13(18-11)20-12(9-17-10)21-7-5-15-6-8-21;15-14(20)19-12-7-6-10-13(18-12)17-11(8-16-10)9-4-2-1-3-5-9/h3-9H,2H2,1H3,(H2,21,23,24,25,26);4-10H,3H2,1-2H3,(H2,18,20,21,22,23);2-9,11H,1,10H2,(H2,18,20,21,22,23);3-9H,2H2,1H3,(H2,19,21,23);3-8,23H,2H2,1H3,(H2,18,20,21,22,24);5-7H,4H2,1-3H3,(H2,16,18,19,20,22);3-4,9-10,22H,2,5-8H2,1H3,(H2,16,18,19,20,23);3-9H,2H2,1H3,(H2,17,19,20,21,22);7-10H,2-6H2,1H3,(H2,16,18,19,20,21);3-8H,2H2,1H3,(H2,17,19,20,21,22);3-4,9,15H,2,5-8H2,1H3,(H2,16,18,19,20,22);1-8H,(H3,15,17,18,19,20).
What are the key properties of 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea?
1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea has a molecular weight of 3747.42 g/mol, XLogP of 28.40, 39 rotatable bonds, 27 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-pyridinyl)quinoxalin-6-yl]-3-ethylurea;1-(3-cyclopentyloxypyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-(4-fluoro-2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-hydroxypiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-piperazin-1-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyrimidin-5-ylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-[4-(trifluoromethoxy)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-prop-2-enylurea;(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea is sourced from PubChem (CID 158347301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).