N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one

C99H84ClN37O7S2 — CID 160826399

About N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one

N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one (PubChem CID 160826399) has the molecular formula C99H84ClN37O7S2 and a molecular weight of 2003.60 g/mol. Its IUPAC name is N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one.

Molecular Properties

• Compound Name: N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one
• PubChem CID: 160826399
• Molecular Formula: C99H84ClN37O7S2
• Molecular Weight: 2003.60 g/mol
• Exact Mass: 2001.65
• IUPAC Name: N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one
• SMILES: COc1cnc2c(NCc3nnc4ccc(-c5cc(C(C)C)ns5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cncc(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5csc(OC)n5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(C5CC(C)=NO5)nn34)ccnc2c1.O=c1ccc2c(ccn2Cc2cnc3ccc(-c4ccccc4)nn23)[nH]1
• InChI: InChI=1S/C21H20N8OS.C20H15ClN8O.C20H15N5O.C19H16N8O2S.C19H18N8O2/c1-12(2)16-9-18(31-28-16)14-4-5-19-25-26-20(29(19)27-14)11-23-15-6-7-22-17-8-13(30-3)10-24-21(15)17;1-30-14-7-17-20(25-10-14)16(4-5-23-17)24-11-19-27-26-18-3-2-15(28-29(18)19)12-6-13(21)9-22-8-12;26-20-9-7-18-17(22-20)10-11-24(18)13-15-12-21-19-8-6-16(23-25(15)19)14-4-2-1-3-5-14;1-28-11-7-14-18(22-8-11)13(5-6-20-14)21-9-17-25-24-16-4-3-12(26-27(16)17)15-10-30-19(23-15)29-2;1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h4-10,12H,11H2,1-3H3,(H,22,23);2-10H,11H2,1H3,(H,23,24);1-12H,13H2,(H,22,26);3-8,10H,9H2,1-2H3,(H,20,21);3-6,8-9,16H,7,10H2,1-2H3,(H,20,21)
• InChIKey: SGFPTOJPTQCZCZ-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 497.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 25
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2003.60
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one?

The IUPAC name of N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one (CID 160826399) is N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one.

What is the SMILES notation for N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one?

The canonical SMILES for N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one is COc1cnc2c(NCc3nnc4ccc(-c5cc(C(C)C)ns5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cncc(Cl)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5csc(OC)n5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(C5CC(C)=NO5)nn34)ccnc2c1.O=c1ccc2c(ccn2Cc2cnc3ccc(-c4ccccc4)nn23)[nH]1.

What is the InChIKey of N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one?

The InChIKey is SGFPTOJPTQCZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8OS.C20H15ClN8O.C20H15N5O.C19H16N8O2S.C19H18N8O2/c1-12(2)16-9-18(31-28-16)14-4-5-19-25-26-20(29(19)27-14)11-23-15-6-7-22-17-8-13(30-3)10-24-21(15)17;1-30-14-7-17-20(25-10-14)16(4-5-23-17)24-11-19-27-26-18-3-2-15(28-29(18)19)12-6-13(21)9-22-8-12;26-20-9-7-18-17(22-20)10-11-24(18)13-15-12-21-19-8-6-16(23-25(15)19)14-4-2-1-3-5-14;1-28-11-7-14-18(22-8-11)13(5-6-20-14)21-9-17-25-24-16-4-3-12(26-27(16)17)15-10-30-19(23-15)29-2;1-11-7-16(29-26-11)13-3-4-17-23-24-18(27(17)25-13)10-21-14-5-6-20-15-8-12(28-2)9-22-19(14)15/h4-10,12H,11H2,1-3H3,(H,22,23);2-10H,11H2,1H3,(H,23,24);1-12H,13H2,(H,22,26);3-8,10H,9H2,1-2H3,(H,20,21);3-6,8-9,16H,7,10H2,1-2H3,(H,20,21).

What are the key properties of N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one?

N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one has a molecular weight of 2003.60 g/mol, XLogP of 15.77, 25 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(2-methoxy-1,3-thiazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3-propan-2-yl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;1-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]-4H-pyrrolo[3,2-b]pyridin-5-one is sourced from PubChem (CID 160826399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).