(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride

C26H24ClFN4O2 — CID 167525726

IUPAC(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
SMILESCl.Cn1nc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2F)ccc1=O
InChIInChI=1S/C26H23FN4O2.ClH/c1-31-23(32)15-14-22(30-31)20-13-12-19(16-21(20)27)29-26(33)25(28)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-16,24-25H,28H2,1H3,(H,29,33);1H/t25-;/m0./s1
InChIKeyNTKCDHMRMJYDRC-UQIIZPHYSA-N
MW478.96 g/mol
LogP4.11
Rot. Bonds6

About (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride

(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride (PubChem CID 167525726) has the molecular formula C26H24ClFN4O2 and a molecular weight of 478.96 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
PubChem CID167525726
Molecular FormulaC26H24ClFN4O2
Molecular Weight478.96 g/mol
Exact Mass478.16
IUPAC Name(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
SMILESCl.Cn1nc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2F)ccc1=O
InChIInChI=1S/C26H23FN4O2.ClH/c1-31-23(32)15-14-22(30-31)20-13-12-19(16-21(20)27)29-26(33)25(28)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-16,24-25H,28H2,1H3,(H,29,33);1H/t25-;/m0./s1
InChIKeyNTKCDHMRMJYDRC-UQIIZPHYSA-N
XLogP4.11
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-[3-fluoro-4-(1-methyl-2-oxopyrimidin-5-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525840
(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)-3-fluorophenyl]-3,3-diphenylpropanamide;dihydrochloride
CID 167525917
(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525844
(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide
CID 175481209
(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide
CID 167525715
N-[(2S)-1-[3-fluoro-4-(6-oxo-1H-pyridazin-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 162362444
(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525916
2-amino-N-(4-fluoro-3-methylphenyl)-2-phenylacetamide
CID 55118745
N-[(2S)-1-[3-fluoro-4-(2-oxo-3,4-dihydro-1H-pyrimidin-5-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 168862323
N-(3,4-difluorophenyl)-2,2-diphenylacetamide
CID 887699
(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525780
N-(3-fluoro-4-methylphenyl)-2,2-diphenylacetamide
CID 676006

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride (CID 167525726) is (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride is Cl.Cn1nc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2F)ccc1=O.
What is the InChIKey of (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride?
The InChIKey is NTKCDHMRMJYDRC-UQIIZPHYSA-N. The full InChI is InChI=1S/C26H23FN4O2.ClH/c1-31-23(32)15-14-22(30-31)20-13-12-19(16-21(20)27)29-26(33)25(28)24(17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-16,24-25H,28H2,1H3,(H,29,33);1H/t25-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride?
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride has a molecular weight of 478.96 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride is sourced from PubChem (CID 167525726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).