1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H18FN5O2 — CID 60613178

IUPAC1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ncc[nH]2)cc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C21H18FN5O2/c22-16-5-1-14(2-6-16)13-27-19(28)10-9-18(26-27)21(29)25-17-7-3-15(4-8-17)20-23-11-12-24-20/h1-8,11-12H,9-10,13H2,(H,23,24)(H,25,29)
InChIKeyIYASZTQOBXRIPP-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.33
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60613178) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID60613178
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(-c2ncc[nH]2)cc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C21H18FN5O2/c22-16-5-1-14(2-6-16)13-27-19(28)10-9-18(26-27)21(29)25-17-7-3-15(4-8-17)20-23-11-12-24-20/h1-8,11-12H,9-10,13H2,(H,23,24)(H,25,29)
InChIKeyIYASZTQOBXRIPP-UHFFFAOYSA-N
XLogP3.33
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-6-oxo-N-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 55773974
N-[4-(difluoromethoxy)phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55765041
2-(4-fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726518
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55777377
1-[2-(4-ethylanilino)-2-oxoethyl]-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53336336
2-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]acetic acid
CID 119136384
1-[(4-fluorophenyl)methyl]-6-oxo-N-(2-propan-2-yloxyphenyl)-4,5-dihydropyridazine-3-carboxamide
CID 55777519
N-(2-anilino-2-oxo-1-phenylethyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55779299
1-(2-anilino-2-oxoethyl)-N-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53157462
4-[[1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229584
1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60586169
N-[2-(3,5-difluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60610295

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 60613178) is 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccc(-c2ncc[nH]2)cc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IYASZTQOBXRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-16-5-1-14(2-6-16)13-27-19(28)10-9-18(26-27)21(29)25-17-7-3-15(4-8-17)20-23-11-12-24-20/h1-8,11-12H,9-10,13H2,(H,23,24)(H,25,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[4-(1H-imidazol-2-yl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60613178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).