N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine

C67H72N24O3 — CID 143611147

About N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine

N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine (PubChem CID 143611147) has the molecular formula C67H72N24O3 and a molecular weight of 1261.48 g/mol. Its IUPAC name is N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine.

Molecular Properties

• Compound Name: N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine
• PubChem CID: 143611147
• Molecular Formula: C67H72N24O3
• Molecular Weight: 1261.48 g/mol
• Exact Mass: 1260.62
• IUPAC Name: N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine
• SMILES: CC.CC.COCCn1cc(-c2ccc3nnc(CNc4ccnc5cc(OC)cnc45)n3n2)cn1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C6CCC6)c5)nn34)ccnc2c1.[H]/N=C(/CCc1ccnc2[nH]ccc12)n1nc(-c2ccccc2)cc/c1=N\[H]
• InChI: InChI=1S/C22H21N9O.C21H21N9O2.C20H18N6.2C2H6/c1-32-16-9-19-22(25-11-16)18(7-8-23-19)24-12-21-28-27-20-6-5-17(29-31(20)21)14-10-26-30(13-14)15-3-2-4-15;1-31-8-7-29-13-14(10-25-29)16-3-4-19-26-27-20(30(19)28-16)12-23-17-5-6-22-18-9-15(32-2)11-24-21(17)18;21-18(8-6-14-10-12-23-20-16(14)11-13-24-20)26-19(22)9-7-17(25-26)15-4-2-1-3-5-15;2*1-2/h5-11,13,15H,2-4,12H2,1H3,(H,23,24);3-6,9-11,13H,7-8,12H2,1-2H3,(H,22,23);1-5,7,9-13,21-22H,6,8H2,(H,23,24);2*1-2H3/b;;21-18-,22-19+
• InChIKey: KSAJLVJEWBRPSF-LCXPSYCCSA-N
• XLogP: 10.89
• TPSA: 319.31 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.48
LogP ≤ 5	10.89
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine?

The IUPAC name of N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine (CID 143611147) is N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine.

What is the SMILES notation for N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine?

The canonical SMILES for N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine is CC.CC.COCCn1cc(-c2ccc3nnc(CNc4ccnc5cc(OC)cnc45)n3n2)cn1.COc1cnc2c(NCc3nnc4ccc(-c5cnn(C6CCC6)c5)nn34)ccnc2c1.[H]/N=C(/CCc1ccnc2[nH]ccc12)n1nc(-c2ccccc2)cc/c1=N\[H].

What is the InChIKey of N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine?

The InChIKey is KSAJLVJEWBRPSF-LCXPSYCCSA-N. The full InChI is InChI=1S/C22H21N9O.C21H21N9O2.C20H18N6.2C2H6/c1-32-16-9-19-22(25-11-16)18(7-8-23-19)24-12-21-28-27-20-6-5-17(29-31(20)21)14-10-26-30(13-14)15-3-2-4-15;1-31-8-7-29-13-14(10-25-29)16-3-4-19-26-27-20(30(19)28-16)12-23-17-5-6-22-18-9-15(32-2)11-24-21(17)18;21-18(8-6-14-10-12-23-20-16(14)11-13-24-20)26-19(22)9-7-17(25-26)15-4-2-1-3-5-15;2*1-2/h5-11,13,15H,2-4,12H2,1H3,(H,23,24);3-6,9-11,13H,7-8,12H2,1-2H3,(H,22,23);1-5,7,9-13,21-22H,6,8H2,(H,23,24);2*1-2H3/b;;21-18-,22-19+;;.

What are the key properties of N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine?

N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine has a molecular weight of 1261.48 g/mol, XLogP of 10.89, 18 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(1-cyclobutylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;ethane;7-methoxy-N-[[6-[1-(2-methoxyethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;6-phenyl-2-[3-(1H-pyrrolo[2,3-b]pyridin-4-yl)propanimidoyl]pyridazin-3-imine is sourced from PubChem (CID 143611147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).