6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one

C17H14ClFN4O — CID 145260289

IUPAC6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one
SMILESCc1cc(-c2ccc(N)nc2F)nn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H14ClFN4O/c1-10-8-14(13-6-7-15(20)21-16(13)19)22-23(17(10)24)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H2,20,21)
InChIKeyKQVUCSPWNYVZNC-UHFFFAOYSA-N
MW344.78 g/mol
LogP3.04
Rot. Bonds3

About 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one

6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one (PubChem CID 145260289) has the molecular formula C17H14ClFN4O and a molecular weight of 344.78 g/mol. Its IUPAC name is 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one
PubChem CID145260289
Molecular FormulaC17H14ClFN4O
Molecular Weight344.78 g/mol
Exact Mass344.08
IUPAC Name6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one
SMILESCc1cc(-c2ccc(N)nc2F)nn(Cc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H14ClFN4O/c1-10-8-14(13-6-7-15(20)21-16(13)19)22-23(17(10)24)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H2,20,21)
InChIKeyKQVUCSPWNYVZNC-UHFFFAOYSA-N
XLogP3.04
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[1-[(4-chlorophenyl)methyl]-5-methyl-6-oxopyridazin-3-yl]-N-methylbenzamide
CID 145260272
2-[(4-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63279074
2-[(4-chlorophenyl)methyl]-4-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]phthalazin-1-one
CID 146653757
methoxymethane;4-[5-methyl-1-[(4-methylphenyl)methyl]-6-oxopyridazin-3-yl]benzaldehyde
CID 145260273
2-[(4-tert-butylphenyl)methyl]-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyrazolo[4,3-c]pyridazin-3-one
CID 25073568
1-[(4-chlorophenyl)methyl]-3,5-bis(3,4-dimethylphenyl)pyrazole
CID 19587425
2-[(4-chlorophenyl)methyl]-4,5-dimethyl-1,2,4-triazol-3-one
CID 134087386
1-benzyl-3-(2,4-dichlorophenyl)pyrazol-5-amine
CID 43381349
1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-amine;hydrochloride
CID 45052778
4-chloro-1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpyrazol-5-amine
CID 55063393
3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 43471217
2-[(4-chlorophenyl)methyl]-6-(4-methoxy-2-phosphanylphenyl)pyridazin-3-one
CID 170317514

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one?
The IUPAC name of 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one (CID 145260289) is 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one.
What is the SMILES notation for 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one?
The canonical SMILES for 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one is Cc1cc(-c2ccc(N)nc2F)nn(Cc2ccc(Cl)cc2)c1=O.
What is the InChIKey of 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one?
The InChIKey is KQVUCSPWNYVZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4O/c1-10-8-14(13-6-7-15(20)21-16(13)19)22-23(17(10)24)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H2,20,21).
What are the key properties of 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one?
6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one has a molecular weight of 344.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-amino-2-fluoro-3-pyridinyl)-2-[(4-chlorophenyl)methyl]-4-methylpyridazin-3-one is sourced from PubChem (CID 145260289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).