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

C23H22FN5O3 — CID 60586169

IUPAC1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCn1ccnc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C23H22FN5O3/c24-18-7-5-17(6-8-18)15-29-22(30)10-9-20(27-29)23(31)26-19-3-1-2-4-21(19)32-14-13-28-12-11-25-16-28/h1-8,11-12,16H,9-10,13-15H2,(H,26,31)
InChIKeyGMHLRUAPWSQYOH-UHFFFAOYSA-N
MW435.46 g/mol
LogP3.22
Rot. Bonds8

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

1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60586169) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID60586169
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCn1ccnc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1
InChIInChI=1S/C23H22FN5O3/c24-18-7-5-17(6-8-18)15-29-22(30)10-9-20(27-29)23(31)26-19-3-1-2-4-21(19)32-14-13-28-12-11-25-16-28/h1-8,11-12,16H,9-10,13-15H2,(H,26,31)
InChIKeyGMHLRUAPWSQYOH-UHFFFAOYSA-N
XLogP3.22
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 60586169) is 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccccc1OCCn1ccnc1)C1=NN(Cc2ccc(F)cc2)C(=O)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is GMHLRUAPWSQYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c24-18-7-5-17(6-8-18)15-29-22(30)10-9-20(27-29)23(31)26-19-3-1-2-4-21(19)32-14-13-28-12-11-25-16-28/h1-8,11-12,16H,9-10,13-15H2,(H,26,31).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[2-(2-imidazol-1-ylethoxy)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60586169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).