tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine

C106H83Cl3F6N26O5 — CID 158654011

About tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine

tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine (PubChem CID 158654011) has the molecular formula C106H83Cl3F6N26O5 and a molecular weight of 2021.35 g/mol. Its IUPAC name is tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine.

Molecular Properties

• Compound Name: tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine
• PubChem CID: 158654011
• Molecular Formula: C106H83Cl3F6N26O5
• Molecular Weight: 2021.35 g/mol
• Exact Mass: 2018.60
• IUPAC Name: tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine
• SMILES: CC(C)(C)OC(=O)Nc1nccc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)n1.CN1CCC(COc2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1.COC(=O)c1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)ccn1.Cc1cccc(-c2cc(Nc3ccncn3)c3cccnc3n2)n1.Fc1cc(F)c(-c2cc(Nc3ccncn3)c3cccnc3n2)cc1F
• InChI: InChI=1S/C26H25ClFN5O.C23H20ClFN6O2.C21H14ClFN4O2.C18H10F3N5.C18H14N6/c1-33-11-7-17(8-12-33)16-34-25-15-29-10-6-22(25)31-23-14-24(20-13-18(27)4-5-21(20)28)32-26-19(23)3-2-9-30-26;1-23(2,3)33-22(32)31-21-27-10-8-19(30-21)28-17-12-18(15-11-13(24)6-7-16(15)25)29-20-14(17)5-4-9-26-20;1-29-21(28)19-10-13(6-8-24-19)26-17-11-18(15-9-12(22)4-5-16(15)23)27-20-14(17)3-2-7-25-20;19-12-7-14(21)13(20)6-11(12)16-8-15(25-17-3-5-22-9-24-17)10-2-1-4-23-18(10)26-16;1-12-4-2-6-14(22-12)16-10-15(23-17-7-9-19-11-21-17)13-5-3-8-20-18(13)24-16/h2-6,9-10,13-15,17H,7-8,11-12,16H2,1H3,(H,29,30,31,32);4-12H,1-3H3,(H2,26,27,28,29,30,31,32);2-11H,1H3,(H,24,25,26,27);1-9H,(H,22,23,24,25,26);2-11H,1H3,(H,19,20,21,23,24)
• InChIKey: IBXDAGZYEWNABG-UHFFFAOYSA-N
• XLogP: 24.71
• TPSA: 382.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2021.35
LogP ≤ 5	24.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine?

The IUPAC name of tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine (CID 158654011) is tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine.

What is the SMILES notation for tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine?

The canonical SMILES for tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine is CC(C)(C)OC(=O)Nc1nccc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)n1.CN1CCC(COc2cnccc2Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)CC1.COC(=O)c1cc(Nc2cc(-c3cc(Cl)ccc3F)nc3ncccc23)ccn1.Cc1cccc(-c2cc(Nc3ccncn3)c3cccnc3n2)n1.Fc1cc(F)c(-c2cc(Nc3ccncn3)c3cccnc3n2)cc1F.

What is the InChIKey of tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine?

The InChIKey is IBXDAGZYEWNABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O.C23H20ClFN6O2.C21H14ClFN4O2.C18H10F3N5.C18H14N6/c1-33-11-7-17(8-12-33)16-34-25-15-29-10-6-22(25)31-23-14-24(20-13-18(27)4-5-21(20)28)32-26-19(23)3-2-9-30-26;1-23(2,3)33-22(32)31-21-27-10-8-19(30-21)28-17-12-18(15-11-13(24)6-7-16(15)25)29-20-14(17)5-4-9-26-20;1-29-21(28)19-10-13(6-8-24-19)26-17-11-18(15-9-12(22)4-5-16(15)23)27-20-14(17)3-2-7-25-20;19-12-7-14(21)13(20)6-11(12)16-8-15(25-17-3-5-22-9-24-17)10-2-1-4-23-18(10)26-16;1-12-4-2-6-14(22-12)16-10-15(23-17-7-9-19-11-21-17)13-5-3-8-20-18(13)24-16/h2-6,9-10,13-15,17H,7-8,11-12,16H2,1H3,(H,29,30,31,32);4-12H,1-3H3,(H2,26,27,28,29,30,31,32);2-11H,1H3,(H,24,25,26,27);1-9H,(H,22,23,24,25,26);2-11H,1H3,(H,19,20,21,23,24).

What are the key properties of tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine?

tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine has a molecular weight of 2021.35 g/mol, XLogP of 24.71, 20 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyrimidin-2-yl]carbamate;2-(5-chloro-2-fluorophenyl)-N-[3-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-1,8-naphthyridin-4-amine;methyl 4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]pyridine-2-carboxylate;2-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine;N-pyrimidin-4-yl-2-(2,4,5-trifluorophenyl)-1,8-naphthyridin-4-amine is sourced from PubChem (CID 158654011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).