5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine

C69H69Cl2F7N16O3 — CID 159244248

About 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine

5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine (PubChem CID 159244248) has the molecular formula C69H69Cl2F7N16O3 and a molecular weight of 1374.31 g/mol. Its IUPAC name is 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine.

Molecular Properties

• Compound Name: 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine
• PubChem CID: 159244248
• Molecular Formula: C69H69Cl2F7N16O3
• Molecular Weight: 1374.31 g/mol
• Exact Mass: 1372.50
• IUPAC Name: 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine
• SMILES: COc1ccc(NCc2cnc3c(n2)N(Cc2cc(F)ccc2F)CCC3)cn1.FC(F)(F)c1ccc(Cl)c(CN2CCCc3ncc(Nc4ccc(N5CCOCC5)nc4)nc32)c1.Fc1ccc(F)c(CN2CCCc3ncc(Nc4ccc(N5CCOCC5)cc4)nc32)c1Cl
• InChI: InChI=1S/C24H24ClF3N6O.C24H24ClF2N5O.C21H21F2N5O/c25-19-5-3-17(24(26,27)28)12-16(19)15-34-7-1-2-20-23(34)32-21(14-29-20)31-18-4-6-22(30-13-18)33-8-10-35-11-9-33;25-23-18(19(26)7-8-20(23)27)15-32-9-1-2-21-24(32)30-22(14-28-21)29-16-3-5-17(6-4-16)31-10-12-33-13-11-31;1-29-20-7-5-16(10-26-20)24-11-17-12-25-19-3-2-8-28(21(19)27-17)13-14-9-15(22)4-6-18(14)23/h3-6,12-14H,1-2,7-11,15H2,(H,31,32);3-8,14H,1-2,9-13,15H2,(H,29,30);4-7,9-10,12,24H,2-3,8,11,13H2,1H3
• InChIKey: KUMCMRFDVBKIQU-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 183.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1374.31
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine?

The IUPAC name of 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine (CID 159244248) is 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine.

What is the SMILES notation for 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine?

The canonical SMILES for 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine is COc1ccc(NCc2cnc3c(n2)N(Cc2cc(F)ccc2F)CCC3)cn1.FC(F)(F)c1ccc(Cl)c(CN2CCCc3ncc(Nc4ccc(N5CCOCC5)nc4)nc32)c1.Fc1ccc(F)c(CN2CCCc3ncc(Nc4ccc(N5CCOCC5)cc4)nc32)c1Cl.

What is the InChIKey of 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine?

The InChIKey is KUMCMRFDVBKIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N6O.C24H24ClF2N5O.C21H21F2N5O/c25-19-5-3-17(24(26,27)28)12-16(19)15-34-7-1-2-20-23(34)32-21(14-29-20)31-18-4-6-22(30-13-18)33-8-10-35-11-9-33;25-23-18(19(26)7-8-20(23)27)15-32-9-1-2-21-24(32)30-22(14-28-21)29-16-3-5-17(6-4-16)31-10-12-33-13-11-31;1-29-20-7-5-16(10-26-20)24-11-17-12-25-19-3-2-8-28(21(19)27-17)13-14-9-15(22)4-6-18(14)23/h3-6,12-14H,1-2,7-11,15H2,(H,31,32);3-8,14H,1-2,9-13,15H2,(H,29,30);4-7,9-10,12,24H,2-3,8,11,13H2,1H3.

What are the key properties of 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine?

5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine has a molecular weight of 1374.31 g/mol, XLogP of 13.74, 16 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-3,6-difluorophenyl)methyl]-N-(4-morpholin-4-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-N-(6-morpholin-4-yl-3-pyridinyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-amine;N-[[5-[(2,5-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 159244248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).