N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

C112H101F2N41O10S2 — CID 158199294

About N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine

N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (PubChem CID 158199294) has the molecular formula C112H101F2N41O10S2 and a molecular weight of 2283.45 g/mol. Its IUPAC name is N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)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-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• PubChem CID: 158199294
• Molecular Formula: C112H101F2N41O10S2
• Molecular Weight: 2283.45 g/mol
• Exact Mass: 2281.81
• IUPAC Name: N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
• SMILES: COc1cnc2c(NCc3nnc4ccc(-c5ccc(C)nc5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C6CC6)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C6CCOC6)c5)nn34)ccnc2c1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCC6CCS(=O)(=O)C6)cnc45)n3n2)sn1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OC[C@H]6COCCO6)cnc45)n3n2)c1
• InChI: InChI=1S/C25H21F2N7O3.C23H22N8O3S2.C22H21N9O2.C21H19N9O.C21H18N8O/c26-16-7-15(8-17(27)9-16)20-1-2-23-31-32-24(34(23)33-20)12-29-21-3-4-28-22-10-18(11-30-25(21)22)37-14-19-13-35-5-6-36-19;1-14-8-20(35-30-14)17-2-3-21-27-28-22(31(21)29-17)11-25-18-4-6-24-19-9-16(10-26-23(18)19)34-12-15-5-7-36(32,33)13-15;1-32-16-8-19-22(25-10-16)18(4-6-23-19)24-11-21-28-27-20-3-2-17(29-31(20)21)14-9-26-30(12-14)15-5-7-33-13-15;1-31-15-8-18-21(24-10-15)17(6-7-22-18)23-11-20-27-26-19-5-4-16(28-30(19)20)13-9-25-29(12-13)14-2-3-14;1-13-3-4-14(10-23-13)16-5-6-19-26-27-20(29(19)28-16)12-24-17-7-8-22-18-9-15(30-2)11-25-21(17)18/h1-4,7-11,19H,5-6,12-14H2,(H,28,29);2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,24,25);2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,23,24);4-10,12,14H,2-3,11H2,1H3,(H,22,23);3-11H,12H2,1-2H3,(H,22,24)/t19-;;;;/m1..../s1
• InChIKey: GASSMJFLETYMAJ-MXFMKSRJSA-N
• XLogP: 14.80
• TPSA: 573.85 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 52
• Rotatable Bonds: 31
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.45
LogP ≤ 5	14.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	52

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)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-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine (CID 158199294) is N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)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-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)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-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is COc1cnc2c(NCc3nnc4ccc(-c5ccc(C)nc5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C6CC6)c5)nn34)ccnc2c1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C6CCOC6)c5)nn34)ccnc2c1.Cc1cc(-c2ccc3nnc(CNc4ccnc5cc(OCC6CCS(=O)(=O)C6)cnc45)n3n2)sn1.Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OC[C@H]6COCCO6)cnc45)n3n2)c1.

What is the InChIKey of N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

The InChIKey is GASSMJFLETYMAJ-MXFMKSRJSA-N. The full InChI is InChI=1S/C25H21F2N7O3.C23H22N8O3S2.C22H21N9O2.C21H19N9O.C21H18N8O/c26-16-7-15(8-17(27)9-16)20-1-2-23-31-32-24(34(23)33-20)12-29-21-3-4-28-22-10-18(11-30-25(21)22)37-14-19-13-35-5-6-36-19;1-14-8-20(35-30-14)17-2-3-21-27-28-22(31(21)29-17)11-25-18-4-6-24-19-9-16(10-26-23(18)19)34-12-15-5-7-36(32,33)13-15;1-32-16-8-19-22(25-10-16)18(4-6-23-19)24-11-21-28-27-20-3-2-17(29-31(20)21)14-9-26-30(12-14)15-5-7-33-13-15;1-31-15-8-18-21(24-10-15)17(6-7-22-18)23-11-20-27-26-19-5-4-16(28-30(19)20)13-9-25-29(12-13)14-2-3-14;1-13-3-4-14(10-23-13)16-5-6-19-26-27-20(29(19)28-16)12-24-17-7-8-22-18-9-15(30-2)11-25-21(17)18/h1-4,7-11,19H,5-6,12-14H2,(H,28,29);2-4,6,8-10,15H,5,7,11-13H2,1H3,(H,24,25);2-4,6,8-10,12,15H,5,7,11,13H2,1H3,(H,23,24);4-10,12,14H,2-3,11H2,1H3,(H,22,23);3-11H,12H2,1-2H3,(H,22,24)/t19-;;;;/m1..../s1.

What are the key properties of N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine?

N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine has a molecular weight of 2283.45 g/mol, XLogP of 14.80, 31 rotatable bonds, 5 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[[(2R)-1,4-dioxan-2-yl]methoxy]-1,5-naphthyridin-4-amine;7-[(1,1-dioxothiolan-3-yl)methoxy]-N-[[6-(3-methyl-1,2-thiazol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(6-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-[1-(oxolan-3-yl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 158199294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).