N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole

C48H37F9N14O3 — CID 161132716

IUPACN-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(Nc2ccc(C(F)(F)F)cc2N)nn1.COc1ccc(Nc2ccc(C(F)(F)F)cc2NC(=O)c2ccccn2)nn1.Cc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H14F3N5O2.C18H12F3N5.C12H11F3N4O/c1-28-16-8-7-15(25-26-16)23-12-6-5-11(18(19,20)21)10-14(12)24-17(27)13-4-2-3-9-22-13;1-11-5-8-16(25-24-11)26-15-7-6-12(18(19,20)21)10-14(15)23-17(26)13-4-2-3-9-22-13;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)12(13,14)15/h2-10H,1H3,(H,23,25)(H,24,27);2-10H,1H3;2-6H,16H2,1H3,(H,17,18)
InChIKeyUMKCHDCSSKNZAB-UHFFFAOYSA-N
MW1028.90 g/mol
LogP10.93
Rot. Bonds10

About N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole

N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole (PubChem CID 161132716) has the molecular formula C48H37F9N14O3 and a molecular weight of 1028.90 g/mol. Its IUPAC name is N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound NameN-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole
PubChem CID161132716
Molecular FormulaC48H37F9N14O3
Molecular Weight1028.90 g/mol
Exact Mass1028.30
IUPAC NameN-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole
SMILESCOc1ccc(Nc2ccc(C(F)(F)F)cc2N)nn1.COc1ccc(Nc2ccc(C(F)(F)F)cc2NC(=O)c2ccccn2)nn1.Cc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)ccc32)nn1
InChIInChI=1S/C18H14F3N5O2.C18H12F3N5.C12H11F3N4O/c1-28-16-8-7-15(25-26-16)23-12-6-5-11(18(19,20)21)10-14(12)24-17(27)13-4-2-3-9-22-13;1-11-5-8-16(25-24-11)26-15-7-6-12(18(19,20)21)10-14(15)23-17(26)13-4-2-3-9-22-13;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)12(13,14)15/h2-10H,1H3,(H,23,25)(H,24,27);2-10H,1H3;2-6H,16H2,1H3,(H,17,18)
InChIKeyUMKCHDCSSKNZAB-UHFFFAOYSA-N
XLogP10.93
TPSA218.58 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001028.90
LogP ≤ 510.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole with MolForge

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Related Compounds

4-fluoro-N-(3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)benzamide
CID 16824838
2,6-difluoro-N-(3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)benzamide
CID 16824839
N-(3-{6-methoxyimidazo[1,2-b]pyridazin-2-yl}phenyl)-4-(trifluoromethyl)benzamide
CID 16824841
N-(5-{6-methoxyimidazo[1,2-b]pyridazin-2-yl}-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 16824901
2-fluoro-N-(4-{6-methoxyimidazo[1,2-b]pyridazin-2-yl}phenyl)benzamide
CID 16824924
3,4-difluoro-N-(4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)benzamide
CID 16824927
N-(4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 16824929
N-(4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)-2-(trifluoromethyl)benzamide
CID 16824935
3,4-difluoro-N-(2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)benzamide
CID 16824955
N-(2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)-3-(trifluoromethyl)benzamide
CID 16824957
N-(2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)-2-(trifluoromethyl)benzamide
CID 16824968
2,6-difluoro-N-(2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)benzamide
CID 16886165

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole?
The IUPAC name of N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole (CID 161132716) is N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole is COc1ccc(Nc2ccc(C(F)(F)F)cc2N)nn1.COc1ccc(Nc2ccc(C(F)(F)F)cc2NC(=O)c2ccccn2)nn1.Cc1ccc(-n2c(-c3ccccn3)nc3cc(C(F)(F)F)ccc32)nn1.
What is the InChIKey of N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole?
The InChIKey is UMKCHDCSSKNZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5O2.C18H12F3N5.C12H11F3N4O/c1-28-16-8-7-15(25-26-16)23-12-6-5-11(18(19,20)21)10-14(12)24-17(27)13-4-2-3-9-22-13;1-11-5-8-16(25-24-11)26-15-7-6-12(18(19,20)21)10-14(15)23-17(26)13-4-2-3-9-22-13;1-20-11-5-4-10(18-19-11)17-9-3-2-7(6-8(9)16)12(13,14)15/h2-10H,1H3,(H,23,25)(H,24,27);2-10H,1H3;2-6H,16H2,1H3,(H,17,18).
What are the key properties of N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole?
N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole has a molecular weight of 1028.90 g/mol, XLogP of 10.93, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxypyridazin-3-yl)amino]-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;1-(6-methylpyridazin-3-yl)-2-pyridin-2-yl-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 161132716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).