4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine

C125H131Cl5F10N24O3 — CID 161076529

About 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine

4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 161076529) has the molecular formula C125H131Cl5F10N24O3 and a molecular weight of 2384.83 g/mol. Its IUPAC name is 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

• Compound Name: 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine
• PubChem CID: 161076529
• Molecular Formula: C125H131Cl5F10N24O3
• Molecular Weight: 2384.83 g/mol
• Exact Mass: 2380.91
• IUPAC Name: 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine
• SMILES: CC(c1c(F)ccc(F)c1Cl)N1CCCc2ncc(-c3ccc(N4CCNCC4)cc3)nc21.CC(c1c(F)ccc(F)c1Cl)N1CCCc2ncc(-c3cccc(N4CCOCC4)c3)nc21.CN1CCN(C(=O)c2ccc(-c3cnc4c(n3)N(Cc3c(F)ccc(F)c3Cl)CCC4)cc2)CC1.Cc1c(-c2cnn(C3CCNCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.Cc1c(-c2cnn(CCN3CCOCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2
• InChI: InChI=1S/C26H26ClF2N5O.C25H28ClF2N5O.C25H26ClF2N5.C25H25ClF2N4O.C24H26ClF2N5/c1-32-11-13-33(14-12-32)26(35)18-6-4-17(5-7-18)23-15-30-22-3-2-10-34(25(22)31-23)16-19-20(28)8-9-21(29)24(19)27;1-17-19(18-13-30-33(15-18)8-7-31-9-11-34-12-10-31)14-29-23-3-2-6-32(25(17)23)16-20-21(27)4-5-22(28)24(20)26;1-16(23-19(27)8-9-20(28)24(23)26)33-12-2-3-21-25(33)31-22(15-30-21)17-4-6-18(7-5-17)32-13-10-29-11-14-32;1-16(23-19(27)7-8-20(28)24(23)26)32-9-3-6-21-25(32)30-22(15-29-21)17-4-2-5-18(14-17)31-10-12-33-13-11-31;1-15-18(16-11-30-32(13-16)17-6-8-28-9-7-17)12-29-22-3-2-10-31(24(15)22)14-19-20(26)4-5-21(27)23(19)25/h4-9,15H,2-3,10-14,16H2,1H3;4-5,13-15H,2-3,6-12,16H2,1H3;4-9,15-16,29H,2-3,10-14H2,1H3;2,4-5,7-8,14-16H,3,6,9-13H2,1H3;4-5,11-13,17,28H,2-3,6-10,14H2,1H3
• InChIKey: UFIUNFAFWHEMMO-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 230.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.83
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine?

The IUPAC name of 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine (CID 161076529) is 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine.

What is the SMILES notation for 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine?

The canonical SMILES for 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine is CC(c1c(F)ccc(F)c1Cl)N1CCCc2ncc(-c3ccc(N4CCNCC4)cc3)nc21.CC(c1c(F)ccc(F)c1Cl)N1CCCc2ncc(-c3cccc(N4CCOCC4)c3)nc21.CN1CCN(C(=O)c2ccc(-c3cnc4c(n3)N(Cc3c(F)ccc(F)c3Cl)CCC4)cc2)CC1.Cc1c(-c2cnn(C3CCNCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.Cc1c(-c2cnn(CCN3CCOCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCC2.

What is the InChIKey of 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine?

The InChIKey is UFIUNFAFWHEMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N5O.C25H28ClF2N5O.C25H26ClF2N5.C25H25ClF2N4O.C24H26ClF2N5/c1-32-11-13-33(14-12-32)26(35)18-6-4-17(5-7-18)23-15-30-22-3-2-10-34(25(22)31-23)16-19-20(28)8-9-21(29)24(19)27;1-17-19(18-13-30-33(15-18)8-7-31-9-11-34-12-10-31)14-29-23-3-2-6-32(25(17)23)16-20-21(27)4-5-22(28)24(20)26;1-16(23-19(27)8-9-20(28)24(23)26)33-12-2-3-21-25(33)31-22(15-30-21)17-4-6-18(7-5-17)32-13-10-29-11-14-32;1-16(23-19(27)7-8-20(28)24(23)26)32-9-3-6-21-25(32)30-22(15-29-21)17-4-2-5-18(14-17)31-10-12-33-13-11-31;1-15-18(16-11-30-32(13-16)17-6-8-28-9-7-17)12-29-22-3-2-10-31(24(15)22)14-19-20(26)4-5-21(27)23(19)25/h4-9,15H,2-3,10-14,16H2,1H3;4-5,13-15H,2-3,6-12,16H2,1H3;4-9,15-16,29H,2-3,10-14H2,1H3;2,4-5,7-8,14-16H,3,6,9-13H2,1H3;4-5,11-13,17,28H,2-3,6-10,14H2,1H3.

What are the key properties of 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine?

4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 2384.83 g/mol, XLogP of 24.37, 22 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]morpholine;5-[1-(2-chloro-3,6-difluorophenyl)ethyl]-3-(4-piperazin-1-ylphenyl)-7,8-dihydro-6H-pyrido[2,3-b]pyrazine;[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-4-methyl-7,8-dihydro-6H-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethyl]morpholine;1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-7-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 161076529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).