N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine

C103H93F9N40O3S2 — CID 158438303

About N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 158438303) has the molecular formula C103H93F9N40O3S2 and a molecular weight of 2174.27 g/mol. Its IUPAC name is N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 158438303
• Molecular Formula: C103H93F9N40O3S2
• Molecular Weight: 2174.27 g/mol
• Exact Mass: 2172.77
• IUPAC Name: N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine
• SMILES: C.C.C.C.C.COc1cnc2c(NCc3nnc4ccc(-c5cc(CO)ns5)nn34)ccnc2c1.Cc1cc(-c2ccc3nnc(CNc4ccnc5nc[nH]c45)n3n2)sn1.Fc1cc(-c2ccc3nnc(CNc4ccnc5nc[nH]c45)n3n2)cc(F)c1F.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OC[C@H]6CCCN6)cnc45)n3n2)c1.Fc1cnc2c(NCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1
• InChI: InChI=1S/C25H22F2N8O.C20H11F4N7.C19H16N8O2S.C18H11F3N8.C16H13N9S.5CH4/c26-16-8-15(9-17(27)10-16)20-3-4-23-32-33-24(35(23)34-20)13-30-21-5-7-29-22-11-19(12-31-25(21)22)36-14-18-2-1-6-28-18;21-11-7-16-20(27-8-11)15(3-4-25-16)26-9-18-29-28-17-2-1-14(30-31(17)18)10-5-12(22)19(24)13(23)6-10;1-29-12-7-15-19(22-8-12)14(4-5-20-15)21-9-18-24-23-17-3-2-13(25-27(17)18)16-6-11(10-28)26-30-16;19-10-5-9(6-11(20)16(10)21)12-1-2-14-26-27-15(29(14)28-12)7-23-13-3-4-22-18-17(13)24-8-25-18;1-9-6-12(26-24-9)10-2-3-13-21-22-14(25(13)23-10)7-18-11-4-5-17-16-15(11)19-8-20-16;;;;;/h3-5,7-12,18,28H,1-2,6,13-14H2,(H,29,30);1-8H,9H2,(H,25,26);2-8,28H,9-10H2,1H3,(H,20,21);1-6,8H,7H2,(H2,22,23,24,25);2-6,8H,7H2,1H3,(H2,17,18,19,20);5*1H4/t18-;;;;;;;;;/m1........./s1
• InChIKey: HCMQZFQHLVFFBN-RJYOUJLLSA-N
• XLogP: 18.67
• TPSA: 512.53 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2174.27
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 158438303) is N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine is C.C.C.C.C.COc1cnc2c(NCc3nnc4ccc(-c5cc(CO)ns5)nn34)ccnc2c1.Cc1cc(-c2ccc3nnc(CNc4ccnc5nc[nH]c45)n3n2)sn1.Fc1cc(-c2ccc3nnc(CNc4ccnc5nc[nH]c45)n3n2)cc(F)c1F.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OC[C@H]6CCCN6)cnc45)n3n2)c1.Fc1cnc2c(NCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1.

What is the InChIKey of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine?

The InChIKey is HCMQZFQHLVFFBN-RJYOUJLLSA-N. The full InChI is InChI=1S/C25H22F2N8O.C20H11F4N7.C19H16N8O2S.C18H11F3N8.C16H13N9S.5CH4/c26-16-8-15(9-17(27)10-16)20-3-4-23-32-33-24(35(23)34-20)13-30-21-5-7-29-22-11-19(12-31-25(21)22)36-14-18-2-1-6-28-18;21-11-7-16-20(27-8-11)15(3-4-25-16)26-9-18-29-28-17-2-1-14(30-31(17)18)10-5-12(22)19(24)13(23)6-10;1-29-12-7-15-19(22-8-12)14(4-5-20-15)21-9-18-24-23-17-3-2-13(25-27(17)18)16-6-11(10-28)26-30-16;19-10-5-9(6-11(20)16(10)21)12-1-2-14-26-27-15(29(14)28-12)7-23-13-3-4-22-18-17(13)24-8-25-18;1-9-6-12(26-24-9)10-2-3-13-21-22-14(25(13)23-10)7-18-11-4-5-17-16-15(11)19-8-20-16;;;;;/h3-5,7-12,18,28H,1-2,6,13-14H2,(H,29,30);1-8H,9H2,(H,25,26);2-8,28H,9-10H2,1H3,(H,20,21);1-6,8H,7H2,(H2,22,23,24,25);2-6,8H,7H2,1H3,(H2,17,18,19,20);5*1H4/t18-;;;;;;;;;/m1........./s1.

What are the key properties of N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine?

N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 2174.27 g/mol, XLogP of 18.67, 25 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-pyrrolidin-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-fluoro-N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;methane;[5-[3-[[(7-methoxy-1,5-naphthyridin-4-yl)amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-1,2-thiazol-3-yl]methanol;N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine;N-[[6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 158438303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).