N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide

C108H102F10N38O16 — CID 162292131

About N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide

N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide (PubChem CID 162292131) has the molecular formula C108H102F10N38O16 and a molecular weight of 2378.23 g/mol. Its IUPAC name is N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide
• PubChem CID: 162292131
• Molecular Formula: C108H102F10N38O16
• Molecular Weight: 2378.23 g/mol
• Exact Mass: 2376.82
• IUPAC Name: N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide
• SMILES: CCOC(=O)C1CCCCCC1CC(=O)c1ccc(-n2ccnc2)nn1.COC(O)c1[nH]ncc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1cc(C)c(C(N)=O)c(NC(=O)c2ccc(-n3ccnc3)nn2)c1.NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=C(Nc1cc(F)c(F)cc1C(=O)NCCO)c1ccc(-n2ccnc2)nn1.O=C(Nc1ccc2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F)c1ccc(-n2ccnc2)nn1
• InChI: InChI=1S/C21H13F6N5O2.C21H22F2N10O3.C19H24N4O3.C17H14F2N6O3.C17H16N6O2.C13H13N7O3/c22-20(23,24)19(34,21(25,26)27)17-13-4-2-1-3-12(13)5-6-14(17)29-18(33)15-7-8-16(31-30-15)32-10-9-28-11-32;22-12-8-11(19(35)29-14(18(24)34)2-1-5-28-21(25)26)16(9-13(12)23)30-20(36)15-3-4-17(32-31-15)33-7-6-27-10-33;1-2-26-19(25)15-7-5-3-4-6-14(15)12-17(24)16-8-9-18(22-21-16)23-11-10-20-13-23;18-11-7-10(16(27)21-4-6-26)14(8-12(11)19)22-17(28)13-1-2-15(24-23-13)25-5-3-20-9-25;1-10-7-11(2)15(16(18)24)13(8-10)20-17(25)12-3-4-14(22-21-12)23-6-5-19-9-23;1-23-13(22)11-9(6-15-19-11)16-12(21)8-2-3-10(18-17-8)20-5-4-14-7-20/h1-11,34H,(H,29,33);3-4,6-10,14H,1-2,5H2,(H2,24,34)(H,29,35)(H,30,36)(H4,25,26,28);8-11,13-15H,2-7,12H2,1H3;1-3,5,7-9,26H,4,6H2,(H,21,27)(H,22,28);3-9H,1-2H3,(H2,18,24)(H,20,25);2-7,13,22H,1H3,(H,15,19)(H,16,21)/t;14-;;;;/m.0..../s1
• InChIKey: NZGYRBZNTZJOOD-NKTLZYDQSA-N
• XLogP: 10.03
• TPSA: 757.85 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 42
• Rotatable Bonds: 35
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2378.23
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide?

The IUPAC name of N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide (CID 162292131) is N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide.

What is the SMILES notation for N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide?

The canonical SMILES for N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide is CCOC(=O)C1CCCCCC1CC(=O)c1ccc(-n2ccnc2)nn1.COC(O)c1[nH]ncc1NC(=O)c1ccc(-n2ccnc2)nn1.Cc1cc(C)c(C(N)=O)c(NC(=O)c2ccc(-n3ccnc3)nn2)c1.NC(=O)[C@H](CCCN=C(N)N)NC(=O)c1cc(F)c(F)cc1NC(=O)c1ccc(-n2ccnc2)nn1.O=C(Nc1cc(F)c(F)cc1C(=O)NCCO)c1ccc(-n2ccnc2)nn1.O=C(Nc1ccc2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F)c1ccc(-n2ccnc2)nn1.

What is the InChIKey of N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide?

The InChIKey is NZGYRBZNTZJOOD-NKTLZYDQSA-N. The full InChI is InChI=1S/C21H13F6N5O2.C21H22F2N10O3.C19H24N4O3.C17H14F2N6O3.C17H16N6O2.C13H13N7O3/c22-20(23,24)19(34,21(25,26)27)17-13-4-2-1-3-12(13)5-6-14(17)29-18(33)15-7-8-16(31-30-15)32-10-9-28-11-32;22-12-8-11(19(35)29-14(18(24)34)2-1-5-28-21(25)26)16(9-13(12)23)30-20(36)15-3-4-17(32-31-15)33-7-6-27-10-33;1-2-26-19(25)15-7-5-3-4-6-14(15)12-17(24)16-8-9-18(22-21-16)23-11-10-20-13-23;18-11-7-10(16(27)21-4-6-26)14(8-12(11)19)22-17(28)13-1-2-15(24-23-13)25-5-3-20-9-25;1-10-7-11(2)15(16(18)24)13(8-10)20-17(25)12-3-4-14(22-21-12)23-6-5-19-9-23;1-23-13(22)11-9(6-15-19-11)16-12(21)8-2-3-10(18-17-8)20-5-4-14-7-20/h1-11,34H,(H,29,33);3-4,6-10,14H,1-2,5H2,(H2,24,34)(H,29,35)(H,30,36)(H4,25,26,28);8-11,13-15H,2-7,12H2,1H3;1-3,5,7-9,26H,4,6H2,(H,21,27)(H,22,28);3-9H,1-2H3,(H2,18,24)(H,20,25);2-7,13,22H,1H3,(H,15,19)(H,16,21)/t;14-;;;;/m.0..../s1.

What are the key properties of N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide?

N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide has a molecular weight of 2378.23 g/mol, XLogP of 10.03, 35 rotatable bonds, 15 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]-4,5-difluorophenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-(2-carbamoyl-3,5-dimethylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide;N-[4,5-difluoro-2-(2-hydroxyethylcarbamoyl)phenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptane-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;N-[5-[hydroxy(methoxy)methyl]-1H-pyrazol-4-yl]-6-imidazol-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 162292131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).