1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate

C161H148ClF2N47O14S — CID 158076964

About 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate

1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate (PubChem CID 158076964) has the molecular formula C161H148ClF2N47O14S and a molecular weight of 3070.79 g/mol. Its IUPAC name is 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate.

Molecular Properties

• Compound Name: 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate
• PubChem CID: 158076964
• Molecular Formula: C161H148ClF2N47O14S
• Molecular Weight: 3070.79 g/mol
• Exact Mass: 3068.17
• IUPAC Name: 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate
• SMILES: C=CCNC(=O)Nc1ccc2ncc(-c3ccc(F)cc3)nc2n1.C=CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)c4ccc(N(C)C)cc4)cc3)nc2n1.C=CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(C)=O)cc3)nc2n1.CCN(C(C)=O)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCN(CC)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CNC(=S)Nc1ccc2ncc(-c3ccc(N)cc3)nc2n1.O=C(NCCCl)Nc1ccc2ncc(-c3ccc(F)cc3)nc2n1
• InChI: InChI=1S/C26H24N6O3.C19H17N5O3.C18H17N5O2.C18H19N5O.C17H14FN5O.C16H13ClFN5O.C16H15N5O2.C16H15N5O.C15H14N6S/c1-4-15-27-26(34)31-23-14-13-21-24(30-23)29-22(16-28-21)17-7-11-20(12-8-17)35-25(33)18-5-9-19(10-6-18)32(2)3;1-3-10-20-19(26)24-17-9-8-15-18(23-17)22-16(11-21-15)13-4-6-14(7-5-13)27-12(2)25;1-3-23(12(2)24)18(25)22-16-10-9-14-17(21-16)20-15(11-19-14)13-7-5-4-6-8-13;1-3-23(4-2)18(24)22-16-11-10-14-17(21-16)20-15(12-19-14)13-8-6-5-7-9-13;1-2-9-19-17(24)23-15-8-7-13-16(22-15)21-14(10-20-13)11-3-5-12(18)6-4-11;17-7-8-19-16(24)23-14-6-5-12-15(22-14)21-13(9-20-12)10-1-3-11(18)4-2-10;1-2-17-16(23)21-14-8-7-12-15(20-14)19-13(9-18-12)10-3-5-11(22)6-4-10;1-2-17-16(22)21-14-9-8-12-15(20-14)19-13(10-18-12)11-6-4-3-5-7-11;1-17-15(22)21-13-7-6-11-14(20-13)19-12(8-18-11)9-2-4-10(16)5-3-9/h4-14,16H,1,15H2,2-3H3,(H2,27,29,30,31,34);3-9,11H,1,10H2,2H3,(H2,20,22,23,24,26);4-11H,3H2,1-2H3,(H,20,21,22,25);5-12H,3-4H2,1-2H3,(H,20,21,22,24);2-8,10H,1,9H2,(H2,19,21,22,23,24);1-6,9H,7-8H2,(H2,19,21,22,23,24);3-9,22H,2H2,1H3,(H2,17,19,20,21,23);3-10H,2H2,1H3,(H2,17,19,20,21,22);2-8H,16H2,1H3,(H2,17,19,20,21,22)
• InChIKey: FMMKGLGUJIFDBT-UHFFFAOYSA-N
• XLogP: 27.76
• TPSA: 802.71 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 44
• Rotatable Bonds: 35
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3070.79
LogP ≤ 5	27.76
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate?

The IUPAC name of 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate (CID 158076964) is 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate.

What is the SMILES notation for 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate?

The canonical SMILES for 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate is C=CCNC(=O)Nc1ccc2ncc(-c3ccc(F)cc3)nc2n1.C=CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)c4ccc(N(C)C)cc4)cc3)nc2n1.C=CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(C)=O)cc3)nc2n1.CCN(C(C)=O)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCN(CC)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CNC(=S)Nc1ccc2ncc(-c3ccc(N)cc3)nc2n1.O=C(NCCCl)Nc1ccc2ncc(-c3ccc(F)cc3)nc2n1.

What is the InChIKey of 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate?

The InChIKey is FMMKGLGUJIFDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3.C19H17N5O3.C18H17N5O2.C18H19N5O.C17H14FN5O.C16H13ClFN5O.C16H15N5O2.C16H15N5O.C15H14N6S/c1-4-15-27-26(34)31-23-14-13-21-24(30-23)29-22(16-28-21)17-7-11-20(12-8-17)35-25(33)18-5-9-19(10-6-18)32(2)3;1-3-10-20-19(26)24-17-9-8-15-18(23-17)22-16(11-21-15)13-4-6-14(7-5-13)27-12(2)25;1-3-23(12(2)24)18(25)22-16-10-9-14-17(21-16)20-15(11-19-14)13-7-5-4-6-8-13;1-3-23(4-2)18(24)22-16-11-10-14-17(21-16)20-15(12-19-14)13-8-6-5-7-9-13;1-2-9-19-17(24)23-15-8-7-13-16(22-15)21-14(10-20-13)11-3-5-12(18)6-4-11;17-7-8-19-16(24)23-14-6-5-12-15(22-14)21-13(9-20-12)10-1-3-11(18)4-2-10;1-2-17-16(23)21-14-8-7-12-15(20-14)19-13(9-18-12)10-3-5-11(22)6-4-10;1-2-17-16(22)21-14-9-8-12-15(20-14)19-13(10-18-12)11-6-4-3-5-7-11;1-17-15(22)21-13-7-6-11-14(20-13)19-12(8-18-11)9-2-4-10(16)5-3-9/h4-14,16H,1,15H2,2-3H3,(H2,27,29,30,31,34);3-9,11H,1,10H2,2H3,(H2,20,22,23,24,26);4-11H,3H2,1-2H3,(H,20,21,22,25);5-12H,3-4H2,1-2H3,(H,20,21,22,24);2-8,10H,1,9H2,(H2,19,21,22,23,24);1-6,9H,7-8H2,(H2,19,21,22,23,24);3-9,22H,2H2,1H3,(H2,17,19,20,21,23);3-10H,2H2,1H3,(H2,17,19,20,21,22);2-8H,16H2,1H3,(H2,17,19,20,21,22).

What are the key properties of 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate?

1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate has a molecular weight of 3070.79 g/mol, XLogP of 27.76, 35 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] acetate;[4-[6-(prop-2-enylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 158076964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).