tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid

C79H96BClF6N18O9 — CID 159984706

About tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid

tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid (PubChem CID 159984706) has the molecular formula C79H96BClF6N18O9 and a molecular weight of 1602.01 g/mol. Its IUPAC name is tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid.

Molecular Properties

• Compound Name: tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid
• PubChem CID: 159984706
• Molecular Formula: C79H96BClF6N18O9
• Molecular Weight: 1602.01 g/mol
• Exact Mass: 1600.73
• IUPAC Name: tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid
• SMILES: CC(C)(C)OC(=O)N1CC(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)CC(F)(F)C1.CC(C)(C)OC(=O)N1CC(CNc2nc(Cl)cc3nccnc23)CC(F)(F)C1.FC1(F)CNCC(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1.OB(O)c1ccc(N2CCOCC2)cc1
• InChI: InChI=1S/C28H34F2N6O3.C23H26F2N6O.C18H22ClF2N5O2.C10H14BNO3/c1-27(2,3)39-26(37)36-17-19(15-28(29,30)18-36)16-33-25-24-23(31-8-9-32-24)14-22(34-25)20-4-6-21(7-5-20)35-10-12-38-13-11-35;24-23(25)12-16(13-26-15-23)14-29-22-21-20(27-5-6-28-21)11-19(30-22)17-1-3-18(4-2-17)31-7-9-32-10-8-31;1-17(2,3)28-16(27)26-9-11(7-18(20,21)10-26)8-24-15-14-12(6-13(19)25-15)22-4-5-23-14;13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h4-9,14,19H,10-13,15-18H2,1-3H3,(H,33,34);1-6,11,16,26H,7-10,12-15H2,(H,29,30);4-6,11H,7-10H2,1-3H3,(H,24,25);1-4,13-14H,5-8H2
• InChIKey: OGENAUGCOLOQTQ-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 301.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1602.01
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid?

The IUPAC name of tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid (CID 159984706) is tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid.

What is the SMILES notation for tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid?

The canonical SMILES for tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid is CC(C)(C)OC(=O)N1CC(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)CC(F)(F)C1.CC(C)(C)OC(=O)N1CC(CNc2nc(Cl)cc3nccnc23)CC(F)(F)C1.FC1(F)CNCC(CNc2nc(-c3ccc(N4CCOCC4)cc3)cc3nccnc23)C1.OB(O)c1ccc(N2CCOCC2)cc1.

What is the InChIKey of tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid?

The InChIKey is OGENAUGCOLOQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N6O3.C23H26F2N6O.C18H22ClF2N5O2.C10H14BNO3/c1-27(2,3)39-26(37)36-17-19(15-28(29,30)18-36)16-33-25-24-23(31-8-9-32-24)14-22(34-25)20-4-6-21(7-5-20)35-10-12-38-13-11-35;24-23(25)12-16(13-26-15-23)14-29-22-21-20(27-5-6-28-21)11-19(30-22)17-1-3-18(4-2-17)31-7-9-32-10-8-31;1-17(2,3)28-16(27)26-9-11(7-18(20,21)10-26)8-24-15-14-12(6-13(19)25-15)22-4-5-23-14;13-11(14)9-1-3-10(4-2-9)12-5-7-15-8-6-12/h4-9,14,19H,10-13,15-18H2,1-3H3,(H,33,34);1-6,11,16,26H,7-10,12-15H2,(H,29,30);4-6,11H,7-10H2,1-3H3,(H,24,25);1-4,13-14H,5-8H2.

What are the key properties of tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid?

tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid has a molecular weight of 1602.01 g/mol, XLogP of 11.20, 15 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[[(7-chloropyrido[3,4-b]pyrazin-5-yl)amino]methyl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl 3,3-difluoro-5-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]piperidine-1-carboxylate;N-[(5,5-difluoropiperidin-3-yl)methyl]-7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-amine;(4-morpholin-4-ylphenyl)boronic acid is sourced from PubChem (CID 159984706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).