N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide

C24H20F4N6O3 — CID 167473650

IUPACN-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(-c2cc(-c3cnnn3C)ccc2F)n1)c1cccc(C(F)(F)CO)c1F
InChIInChI=1S/C24H20F4N6O3/c1-13(15-4-3-5-16(22(15)26)24(27,28)12-35)30-23(37)18-8-9-21(36)34(31-18)19-10-14(6-7-17(19)25)20-11-29-32-33(20)2/h3-11,13,35H,12H2,1-2H3,(H,30,37)/t13-/m1/s1
InChIKeyWACRMGCZUSGWTI-CYBMUJFWSA-N
MW516.46 g/mol
LogP2.88
Rot. Bonds7

About N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide

N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 167473650) has the molecular formula C24H20F4N6O3 and a molecular weight of 516.46 g/mol. Its IUPAC name is N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID167473650
Molecular FormulaC24H20F4N6O3
Molecular Weight516.46 g/mol
Exact Mass516.15
IUPAC NameN-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(=O)n(-c2cc(-c3cnnn3C)ccc2F)n1)c1cccc(C(F)(F)CO)c1F
InChIInChI=1S/C24H20F4N6O3/c1-13(15-4-3-5-16(22(15)26)24(27,28)12-35)30-23(37)18-8-9-21(36)34(31-18)19-10-14(6-7-17(19)25)20-11-29-32-33(20)2/h3-11,13,35H,12H2,1-2H3,(H,30,37)/t13-/m1/s1
InChIKeyWACRMGCZUSGWTI-CYBMUJFWSA-N
XLogP2.88
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-(2-fluoro-3-pyridinyl)-6-oxopyridazine-3-carboxamide
CID 167473561
N-[(1R)-1-[3-(1,1-difluoro-2-methoxyethyl)-2-fluorophenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473534
N-[(1R)-1-[5-amino-2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473587
N-[(1R)-1-(2-chloro-3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 167473627
N-[1-(2-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17429467
1-(2-fluorophenyl)-N-[(1R)-1-[2-methyl-5-nitro-3-(trifluoromethyl)phenyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 172536168
N-[1-[2-chloro-5-nitro-3-(trifluoromethyl)phenyl]ethyl]-1-(2-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 175582849
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51150886
2-[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]pentanoic acid
CID 120534639
1-(2-fluorophenyl)-6-oxo-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]pyridazine-3-carboxamide
CID 175583321
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
2-ethyl-2-[[[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]methyl]butanoic acid
CID 120533304

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide (CID 167473650) is N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide is C[C@@H](NC(=O)c1ccc(=O)n(-c2cc(-c3cnnn3C)ccc2F)n1)c1cccc(C(F)(F)CO)c1F.
What is the InChIKey of N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is WACRMGCZUSGWTI-CYBMUJFWSA-N. The full InChI is InChI=1S/C24H20F4N6O3/c1-13(15-4-3-5-16(22(15)26)24(27,28)12-35)30-23(37)18-8-9-21(36)34(31-18)19-10-14(6-7-17(19)25)20-11-29-32-33(20)2/h3-11,13,35H,12H2,1-2H3,(H,30,37)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide?
N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 516.46 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(1,1-difluoro-2-hydroxyethyl)-2-fluorophenyl]ethyl]-1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 167473650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).