3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

C24H21F4N3O2 — CID 138631252

IUPAC3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESCc1cc([C@@H](N)C(F)(F)F)c(-c2ccc(C3(C(=O)Nc4ccc(F)cc4)COC3)cc2)cn1
InChIInChI=1S/C24H21F4N3O2/c1-14-10-19(21(29)24(26,27)28)20(11-30-14)15-2-4-16(5-3-15)23(12-33-13-23)22(32)31-18-8-6-17(25)7-9-18/h2-11,21H,12-13,29H2,1H3,(H,31,32)/t21-/m1/s1
InChIKeyIXDZPQNHHRRLIE-OAQYLSRUSA-N
MW459.44 g/mol
LogP4.66
Rot. Bonds5

About 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (PubChem CID 138631252) has the molecular formula C24H21F4N3O2 and a molecular weight of 459.44 g/mol. Its IUPAC name is 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
PubChem CID138631252
Molecular FormulaC24H21F4N3O2
Molecular Weight459.44 g/mol
Exact Mass459.16
IUPAC Name3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESCc1cc([C@@H](N)C(F)(F)F)c(-c2ccc(C3(C(=O)Nc4ccc(F)cc4)COC3)cc2)cn1
InChIInChI=1S/C24H21F4N3O2/c1-14-10-19(21(29)24(26,27)28)20(11-30-14)15-2-4-16(5-3-15)23(12-33-13-23)22(32)31-18-8-6-17(25)7-9-18/h2-11,21H,12-13,29H2,1H3,(H,31,32)/t21-/m1/s1
InChIKeyIXDZPQNHHRRLIE-OAQYLSRUSA-N
XLogP4.66
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-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

3-[4-[6-(difluoromethoxy)-4-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609199
N-(4-fluorophenyl)-3-[4-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]phenyl]oxetane-3-carboxamide
CID 138609145
N-[4-(difluoromethoxy)phenyl]-3-[4-[4-(hydroxymethyl)-6-methyl-3-pyridinyl]phenyl]oxetane-3-carboxamide
CID 159513799
N-(4-fluorophenyl)-3-[6-[4-(2-hydroxypropan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609152
N-(4-fluorophenyl)-3-[6-[2-(2-hydroxypropan-2-yl)-4-(trifluoromethyl)phenyl]-3-pyridinyl]oxetane-3-carboxamide
CID 138609143
N-(4-fluorophenyl)-3-phenyloxetane-3-carboxamide
CID 154632266
3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609149
3-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609114
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609161
N-(4-fluorophenyl)-3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]oxetane-3-carboxamide
CID 138609181
4-(4-fluorophenyl)-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 49422466
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The IUPAC name of 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (CID 138631252) is 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is Cc1cc([C@@H](N)C(F)(F)F)c(-c2ccc(C3(C(=O)Nc4ccc(F)cc4)COC3)cc2)cn1.
What is the InChIKey of 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The InChIKey is IXDZPQNHHRRLIE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21F4N3O2/c1-14-10-19(21(29)24(26,27)28)20(11-30-14)15-2-4-16(5-3-15)23(12-33-13-23)22(32)31-18-8-6-17(25)7-9-18/h2-11,21H,12-13,29H2,1H3,(H,31,32)/t21-/m1/s1.
What are the key properties of 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide has a molecular weight of 459.44 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(1R)-1-amino-2,2,2-trifluoroethyl]-6-methyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is sourced from PubChem (CID 138631252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).