ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole

C123H114N34O10 — CID 159805107

IUPACethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole
SMILESCCOC(=O)N1CCN(c2cnc3ccc(-c4ccc5oc(C)nc5c4)nc3n2)CC1.Cc1nc2cc(-c3ccc4ncc(-c5cccnc5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C5COCCN5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C5NCCN[C@H]5C)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(N5CCN(C)CC5)nc4n3)ccc2o1
InChIInChI=1S/C22H22N6O3.C22H22N6O2.2C20H20N6O.C20H13N5O.C19H17N5O2/c1-3-30-22(29)28-10-8-27(9-11-28)20-13-23-17-6-5-16(25-21(17)26-20)15-4-7-19-18(12-15)24-14(2)31-19;1-14-24-19-10-15(2-5-20(19)30-14)17-3-4-18-22(25-17)26-21(11-23-18)28-12-16(13-28)27-6-8-29-9-7-27;1-13-22-17-11-14(3-6-18(17)27-13)15-4-5-16-20(23-15)24-19(12-21-16)26-9-7-25(2)8-10-26;1-11-19(22-8-7-21-11)17-10-23-15-5-4-14(25-20(15)26-17)13-3-6-18-16(9-13)24-12(2)27-18;1-12-23-17-9-13(4-7-19(17)26-12)15-5-6-16-20(24-15)25-18(11-22-16)14-3-2-8-21-10-14;1-11-22-15-8-12(2-5-18(15)26-11)13-3-4-14-19(23-13)24-16(9-21-14)17-10-25-7-6-20-17/h4-7,12-13H,3,8-11H2,1-2H3;2-5,10-11,16H,6-9,12-13H2,1H3;3-6,11-12H,7-10H2,1-2H3;3-6,9-11,19,21-22H,7-8H2,1-2H3;2-11H,1H3;2-5,8-9,17,20H,6-7,10H2,1H3/t;;;11-,19?;;/m...0../s1
InChIKeyNKHFUJDUAQMIAK-JDJATONYSA-N
MW2228.49 g/mol
LogP18.74
Rot. Bonds14

About ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole

ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole (PubChem CID 159805107) has the molecular formula C123H114N34O10 and a molecular weight of 2228.49 g/mol. Its IUPAC name is ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Nameethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole
PubChem CID159805107
Molecular FormulaC123H114N34O10
Molecular Weight2228.49 g/mol
Exact Mass2226.95
IUPAC Nameethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole
SMILESCCOC(=O)N1CCN(c2cnc3ccc(-c4ccc5oc(C)nc5c4)nc3n2)CC1.Cc1nc2cc(-c3ccc4ncc(-c5cccnc5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C5COCCN5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C5NCCN[C@H]5C)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(N5CCN(C)CC5)nc4n3)ccc2o1
InChIInChI=1S/C22H22N6O3.C22H22N6O2.2C20H20N6O.C20H13N5O.C19H17N5O2/c1-3-30-22(29)28-10-8-27(9-11-28)20-13-23-17-6-5-16(25-21(17)26-20)15-4-7-19-18(12-15)24-14(2)31-19;1-14-24-19-10-15(2-5-20(19)30-14)17-3-4-18-22(25-17)26-21(11-23-18)28-12-16(13-28)27-6-8-29-9-7-27;1-13-22-17-11-14(3-6-18(17)27-13)15-4-5-16-20(23-15)24-19(12-21-16)26-9-7-25(2)8-10-26;1-11-19(22-8-7-21-11)17-10-23-15-5-4-14(25-20(15)26-17)13-3-6-18-16(9-13)24-12(2)27-18;1-12-23-17-9-13(4-7-19(17)26-12)15-5-6-16-20(24-15)25-18(11-22-16)14-3-2-8-21-10-14;1-11-22-15-8-12(2-5-18(15)26-11)13-3-4-14-19(23-13)24-16(9-21-14)17-10-25-7-6-20-17/h4-7,12-13H,3,8-11H2,1-2H3;2-5,10-11,16H,6-9,12-13H2,1H3;3-6,11-12H,7-10H2,1-2H3;3-6,9-11,19,21-22H,7-8H2,1-2H3;2-11H,1H3;2-5,8-9,17,20H,6-7,10H2,1H3/t;;;11-,19?;;/m...0../s1
InChIKeyNKHFUJDUAQMIAK-JDJATONYSA-N
XLogP18.74
TPSA501.38 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds14
Heavy Atoms167
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002228.49
LogP ≤ 518.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Analyze ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole?
The IUPAC name of ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole (CID 159805107) is ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole.
What is the SMILES notation for ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole?
The canonical SMILES for ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole is CCOC(=O)N1CCN(c2cnc3ccc(-c4ccc5oc(C)nc5c4)nc3n2)CC1.Cc1nc2cc(-c3ccc4ncc(-c5cccnc5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C5COCCN5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(C5NCCN[C@H]5C)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(N5CC(N6CCOCC6)C5)nc4n3)ccc2o1.Cc1nc2cc(-c3ccc4ncc(N5CCN(C)CC5)nc4n3)ccc2o1.
What is the InChIKey of ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole?
The InChIKey is NKHFUJDUAQMIAK-JDJATONYSA-N. The full InChI is InChI=1S/C22H22N6O3.C22H22N6O2.2C20H20N6O.C20H13N5O.C19H17N5O2/c1-3-30-22(29)28-10-8-27(9-11-28)20-13-23-17-6-5-16(25-21(17)26-20)15-4-7-19-18(12-15)24-14(2)31-19;1-14-24-19-10-15(2-5-20(19)30-14)17-3-4-18-22(25-17)26-21(11-23-18)28-12-16(13-28)27-6-8-29-9-7-27;1-13-22-17-11-14(3-6-18(17)27-13)15-4-5-16-20(23-15)24-19(12-21-16)26-9-7-25(2)8-10-26;1-11-19(22-8-7-21-11)17-10-23-15-5-4-14(25-20(15)26-17)13-3-6-18-16(9-13)24-12(2)27-18;1-12-23-17-9-13(4-7-19(17)26-12)15-5-6-16-20(24-15)25-18(11-22-16)14-3-2-8-21-10-14;1-11-22-15-8-12(2-5-18(15)26-11)13-3-4-14-19(23-13)24-16(9-21-14)17-10-25-7-6-20-17/h4-7,12-13H,3,8-11H2,1-2H3;2-5,10-11,16H,6-9,12-13H2,1H3;3-6,11-12H,7-10H2,1-2H3;3-6,9-11,19,21-22H,7-8H2,1-2H3;2-11H,1H3;2-5,8-9,17,20H,6-7,10H2,1H3/t;;;11-,19?;;/m...0../s1.
What are the key properties of ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole?
ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole has a molecular weight of 2228.49 g/mol, XLogP of 18.74, 14 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(2-methyl-1,3-benzoxazol-5-yl)pyrido[2,3-b]pyrazin-3-yl]piperazine-1-carboxylate;2-methyl-5-[3-[(3S)-3-methylpiperazin-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-[3-(3-morpholin-4-ylazetidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]-1,3-benzoxazole;2-methyl-5-(3-morpholin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole;2-methyl-5-(3-pyridin-3-ylpyrido[2,3-b]pyrazin-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 159805107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).