3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide

C28H29F4N3O3 — CID 134609438

IUPAC3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cc(C(C)(C)N)cc(C(F)(F)F)c3)ccc2C)cc1C1(CF)COC1
InChIInChI=1S/C28H29F4N3O3/c1-16-5-6-21(35-24(36)17-7-19(26(2,3)33)10-20(8-17)28(30,31)32)11-22(16)18-9-23(25(37-4)34-12-18)27(13-29)14-38-15-27/h5-12H,13-15,33H2,1-4H3,(H,35,36)
InChIKeyHGEBNPDXFQZTJE-UHFFFAOYSA-N
MW531.55 g/mol
LogP5.77
Rot. Bonds7

About 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide

3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide (PubChem CID 134609438) has the molecular formula C28H29F4N3O3 and a molecular weight of 531.55 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide
PubChem CID134609438
Molecular FormulaC28H29F4N3O3
Molecular Weight531.55 g/mol
Exact Mass531.21
IUPAC Name3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ncc(-c2cc(NC(=O)c3cc(C(C)(C)N)cc(C(F)(F)F)c3)ccc2C)cc1C1(CF)COC1
InChIInChI=1S/C28H29F4N3O3/c1-16-5-6-21(35-24(36)17-7-19(26(2,3)33)10-20(8-17)28(30,31)32)11-22(16)18-9-23(25(37-4)34-12-18)27(13-29)14-38-15-27/h5-12H,13-15,33H2,1-4H3,(H,35,36)
InChIKeyHGEBNPDXFQZTJE-UHFFFAOYSA-N
XLogP5.77
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.55
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide (CID 134609438) is 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide is COc1ncc(-c2cc(NC(=O)c3cc(C(C)(C)N)cc(C(F)(F)F)c3)ccc2C)cc1C1(CF)COC1.
What is the InChIKey of 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is HGEBNPDXFQZTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F4N3O3/c1-16-5-6-21(35-24(36)17-7-19(26(2,3)33)10-20(8-17)28(30,31)32)11-22(16)18-9-23(25(37-4)34-12-18)27(13-29)14-38-15-27/h5-12H,13-15,33H2,1-4H3,(H,35,36).
What are the key properties of 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide?
3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 531.55 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-N-[3-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-4-methylphenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 134609438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).