N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc

C96H104Cl2N24O17Zn — CID 164950990

About N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc

N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc (PubChem CID 164950990) has the molecular formula C96H104Cl2N24O17Zn and a molecular weight of 2002.33 g/mol. Its IUPAC name is N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc.

Molecular Properties

• Compound Name: N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc
• PubChem CID: 164950990
• Molecular Formula: C96H104Cl2N24O17Zn
• Molecular Weight: 2002.33 g/mol
• Exact Mass: 1998.67
• IUPAC Name: N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc
• SMILES: CNc1cc2nn3c(cnc13)C(=O)NCCCOc1ccc(OC)c(c1)N2.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCCCOc4ccc(OC)c(N)c4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCCCOc4ccc(OC)c([N+](=O)[O-])c4)cnc23)cc1.COc1ccc(CN(C)c2cc3nn4c(cnc24)C(=O)NCCCOc2ccc(OC)c(c2)N3)cc1.[Zn]
• InChI: InChI=1S/C26H27ClN6O6.C26H29ClN6O4.C26H28N6O4.C18H20N6O3.Zn/c1-31(16-17-5-7-18(37-2)8-6-17)21-14-24(27)30-32-22(15-29-25(21)32)26(34)28-11-4-12-39-19-9-10-23(38-3)20(13-19)33(35)36;1-32(16-17-5-7-18(35-2)8-6-17)21-14-24(27)31-33-22(15-30-25(21)33)26(34)29-11-4-12-37-19-9-10-23(36-3)20(28)13-19;1-31(16-17-5-7-18(34-2)8-6-17)21-14-24-29-20-13-19(9-10-23(20)35-3)36-12-4-11-27-26(33)22-15-28-25(21)32(22)30-24;1-19-13-9-16-22-12-8-11(4-5-15(12)26-2)27-7-3-6-20-18(25)14-10-21-17(13)24(14)23-16;/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,28,34);5-10,13-15H,4,11-12,16,28H2,1-3H3,(H,29,34);5-10,13-15H,4,11-12,16H2,1-3H3,(H,27,33)(H,29,30);4-5,8-10,19H,3,6-7H2,1-2H3,(H,20,25)(H,22,23)
• InChIKey: ANHXMEAUFGIQQM-UHFFFAOYSA-N
• XLogP: 13.63
• TPSA: 453.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2002.33
LogP ≤ 5	13.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc?

The IUPAC name of N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc (CID 164950990) is N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc.

What is the SMILES notation for N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc?

The canonical SMILES for N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc is CNc1cc2nn3c(cnc13)C(=O)NCCCOc1ccc(OC)c(c1)N2.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCCCOc4ccc(OC)c(N)c4)cnc23)cc1.COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCCCOc4ccc(OC)c([N+](=O)[O-])c4)cnc23)cc1.COc1ccc(CN(C)c2cc3nn4c(cnc24)C(=O)NCCCOc2ccc(OC)c(c2)N3)cc1.[Zn].

What is the InChIKey of N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc?

The InChIKey is ANHXMEAUFGIQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6O6.C26H29ClN6O4.C26H28N6O4.C18H20N6O3.Zn/c1-31(16-17-5-7-18(37-2)8-6-17)21-14-24(27)30-32-22(15-29-25(21)32)26(34)28-11-4-12-39-19-9-10-23(38-3)20(13-19)33(35)36;1-32(16-17-5-7-18(35-2)8-6-17)21-14-24(27)31-33-22(15-30-25(21)33)26(34)29-11-4-12-37-19-9-10-23(36-3)20(28)13-19;1-31(16-17-5-7-18(34-2)8-6-17)21-14-24-29-20-13-19(9-10-23(20)35-3)36-12-4-11-27-26(33)22-15-28-25(21)32(22)30-24;1-19-13-9-16-22-12-8-11(4-5-15(12)26-2)27-7-3-6-20-18(25)14-10-21-17(13)24(14)23-16;/h5-10,13-15H,4,11-12,16H2,1-3H3,(H,28,34);5-10,13-15H,4,11-12,16,28H2,1-3H3,(H,29,34);5-10,13-15H,4,11-12,16H2,1-3H3,(H,27,33)(H,29,30);4-5,8-10,19H,3,6-7H2,1-2H3,(H,20,25)(H,22,23);.

What are the key properties of N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc?

N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc has a molecular weight of 2002.33 g/mol, XLogP of 13.63, 30 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;6-chloro-N-[3-(4-methoxy-3-nitrophenoxy)propyl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide;4-methoxy-18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;4-methoxy-18-(methylamino)-8-oxa-2,12,16,20,21-pentazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3,5,7(22),14,16,18-heptaen-13-one;zinc is sourced from PubChem (CID 164950990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).