7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride

C62H99ClIN19O9 — CID 162102975

IUPAC7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride
SMILESCCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1ccc(N(C)C)nn1.CCOC(=O)CCCCCCNc1cnccn1.CN(C)c1ccc(N(CCCCCCC(=O)NO)c2cnccn2)nn1.Cl.Ic1cnccn1.O
InChIInChI=1S/C19H28N6O2.C17H25N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.H2O/c1-4-27-19(26)9-7-5-6-8-14-25(18-15-20-12-13-21-18)17-11-10-16(22-23-17)24(2)3;1-23(2)14-8-9-15(21-20-14)24(16-13-18-10-11-19-16)12-6-4-3-5-7-17(25)22-26;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h10-13,15H,4-9,14H2,1-3H3;8-11,13,26H,3-7,12H2,1-2H3,(H,22,25);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;1H;1H2
InChIKeyZGSOJEPBUWMPNT-UHFFFAOYSA-N
MW1416.95 g/mol
LogP9.45
Rot. Bonds37

About 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride

7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride (PubChem CID 162102975) has the molecular formula C62H99ClIN19O9 and a molecular weight of 1416.95 g/mol. Its IUPAC name is 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride.

Molecular Properties

Compound Name7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride
PubChem CID162102975
Molecular FormulaC62H99ClIN19O9
Molecular Weight1416.95 g/mol
Exact Mass1415.66
IUPAC Name7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride
SMILESCCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1ccc(N(C)C)nn1.CCOC(=O)CCCCCCNc1cnccn1.CN(C)c1ccc(N(CCCCCCC(=O)NO)c2cnccn2)nn1.Cl.Ic1cnccn1.O
InChIInChI=1S/C19H28N6O2.C17H25N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.H2O/c1-4-27-19(26)9-7-5-6-8-14-25(18-15-20-12-13-21-18)17-11-10-16(22-23-17)24(2)3;1-23(2)14-8-9-15(21-20-14)24(16-13-18-10-11-19-16)12-6-4-3-5-7-17(25)22-26;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h10-13,15H,4-9,14H2,1-3H3;8-11,13,26H,3-7,12H2,1-2H3,(H,22,25);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;1H;1H2
InChIKeyZGSOJEPBUWMPNT-UHFFFAOYSA-N
XLogP9.45
TPSA365.42 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.95
LogP ≤ 59.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

deuterium monohydride;ethyl 7-aminoheptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;ethyl 7-[pyrazin-2-yl-[6-(trifluoromethyl)pyridazin-3-yl]amino]heptanoate;N-hydroxy-7-[pyrazin-2-yl-[6-(trifluoromethyl)pyridazin-3-yl]amino]heptanamide;2-iodopyrazine;hydrochloride
CID 157255168
ethyl 7-aminoheptanoate;ethyl 7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;phosphane;hydrochloride
CID 159442477
ethyl 7-aminoheptanoate;ethyl 7-[(6-methoxypyridazin-3-yl)-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[(6-methoxypyridazin-3-yl)-pyrazin-2-ylamino]heptanamide;2-iodopyrazine;methane;hydrochloride
CID 161414784
ethyl 7-aminoheptanoate;ethyl 7-[imidazo[1,2-b]pyridazin-6-yl(pyrazin-2-yl)amino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;N-hydroxy-7-[imidazo[1,2-b]pyridazin-6-yl(pyrazin-2-yl)amino]heptanamide;2-iodopyrazine;hydrochloride;hydrofluoride
CID 161943488

Frequently Asked Questions

What is the IUPAC name of 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride?
The IUPAC name of 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride (CID 162102975) is 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride.
What is the SMILES notation for 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride?
The canonical SMILES for 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride is CCOC(=O)CCCCCCN.CCOC(=O)CCCCCCN(c1cnccn1)c1ccc(N(C)C)nn1.CCOC(=O)CCCCCCNc1cnccn1.CN(C)c1ccc(N(CCCCCCC(=O)NO)c2cnccn2)nn1.Cl.Ic1cnccn1.O.
What is the InChIKey of 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride?
The InChIKey is ZGSOJEPBUWMPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.C17H25N7O2.C13H21N3O2.C9H19NO2.C4H3IN2.ClH.H2O/c1-4-27-19(26)9-7-5-6-8-14-25(18-15-20-12-13-21-18)17-11-10-16(22-23-17)24(2)3;1-23(2)14-8-9-15(21-20-14)24(16-13-18-10-11-19-16)12-6-4-3-5-7-17(25)22-26;1-2-18-13(17)7-5-3-4-6-8-15-12-11-14-9-10-16-12;1-2-12-9(11)7-5-3-4-6-8-10;5-4-3-6-1-2-7-4;;/h10-13,15H,4-9,14H2,1-3H3;8-11,13,26H,3-7,12H2,1-2H3,(H,22,25);9-11H,2-8H2,1H3,(H,15,16);2-8,10H2,1H3;1-3H;1H;1H2.
What are the key properties of 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride?
7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride has a molecular weight of 1416.95 g/mol, XLogP of 9.45, 37 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]-N-hydroxyheptanamide;ethyl 7-aminoheptanoate;ethyl 7-[[6-(dimethylamino)pyridazin-3-yl]-pyrazin-2-ylamino]heptanoate;ethyl 7-(pyrazin-2-ylamino)heptanoate;2-iodopyrazine;hydrate;hydrochloride is sourced from PubChem (CID 162102975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).