N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

C106H93Cl2F2N41O5 — CID 158907694

About N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 158907694) has the molecular formula C106H93Cl2F2N41O5 and a molecular weight of 2130.09 g/mol. Its IUPAC name is N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

• Compound Name: N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• PubChem CID: 158907694
• Molecular Formula: C106H93Cl2F2N41O5
• Molecular Weight: 2130.09 g/mol
• Exact Mass: 2127.76
• IUPAC Name: N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• SMILES: COc1cnc2c(NCc3nnc4ccc(-c5ccc([C@@H](C)N)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc([C@H](C)N)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cn[nH]c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C(C)C)c5)nn34)ccnc2c1.FC(F)Oc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
• InChI: InChI=1S/2C23H21ClN8O.C21H15F2N7O.C21H21N9O.C18H15N9O/c2*1-13(25)16-4-3-14(9-17(16)24)18-5-6-21-29-30-22(32(21)31-18)12-27-19-7-8-26-20-10-15(33-2)11-28-23(19)20;22-21(23)31-14-10-17-20(26-11-14)16(8-9-24-17)25-12-19-28-27-18-7-6-15(29-30(18)19)13-4-2-1-3-5-13;1-13(2)29-12-14(9-25-29)16-4-5-19-26-27-20(30(19)28-16)11-23-17-6-7-22-18-8-15(31-3)10-24-21(17)18;1-28-12-6-15-18(21-9-12)14(4-5-19-15)20-10-17-25-24-16-3-2-13(26-27(16)17)11-7-22-23-8-11/h2*3-11,13H,12,25H2,1-2H3,(H,26,27);1-11,21H,12H2,(H,24,25);4-10,12-13H,11H2,1-3H3,(H,22,23);2-9H,10H2,1H3,(H,19,20)(H,22,23)/t2*13-;;;/m10.../s1
• InChIKey: JGGFMPNYBDCRMA-DVJSGNNJSA-N
• XLogP: 17.22
• TPSA: 549.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 45
• Rotatable Bonds: 29
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.09
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The IUPAC name of N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (CID 158907694) is N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine.

What is the SMILES notation for N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The canonical SMILES for N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is COc1cnc2c(NCc3nnc4ccc(-c5ccc([C@@H](C)N)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5ccc([C@H](C)N)c(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cn[nH]c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C(C)C)c5)nn34)ccnc2c1.FC(F)Oc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.

What is the InChIKey of N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The InChIKey is JGGFMPNYBDCRMA-DVJSGNNJSA-N. The full InChI is InChI=1S/2C23H21ClN8O.C21H15F2N7O.C21H21N9O.C18H15N9O/c2*1-13(25)16-4-3-14(9-17(16)24)18-5-6-21-29-30-22(32(21)31-18)12-27-19-7-8-26-20-10-15(33-2)11-28-23(19)20;22-21(23)31-14-10-17-20(26-11-14)16(8-9-24-17)25-12-19-28-27-18-7-6-15(29-30(18)19)13-4-2-1-3-5-13;1-13(2)29-12-14(9-25-29)16-4-5-19-26-27-20(30(19)28-16)11-23-17-6-7-22-18-8-15(31-3)10-24-21(17)18;1-28-12-6-15-18(21-9-12)14(4-5-19-15)20-10-17-25-24-16-3-2-13(26-27(16)17)11-7-22-23-8-11/h2*3-11,13H,12,25H2,1-2H3,(H,26,27);1-11,21H,12H2,(H,24,25);4-10,12-13H,11H2,1-3H3,(H,22,23);2-9H,10H2,1H3,(H,19,20)(H,22,23)/t2*13-;;;/m10.../s1.

What are the key properties of N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 2130.09 g/mol, XLogP of 17.22, 29 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-[4-[(1S)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-[4-[(1R)-1-aminoethyl]-3-chlorophenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-(difluoromethoxy)-N-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 158907694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).