2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide

C24H22F2N6O2 — CID 135348047

IUPAC2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
SMILESC[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(NCc3ccc(F)cc3)ccc2F)n1
InChIInChI=1S/C24H22F2N6O2/c1-15(13-33)32-14-28-31-23(32)21-3-2-4-22(29-21)30-24(34)19-11-18(9-10-20(19)26)27-12-16-5-7-17(25)8-6-16/h2-11,14-15,27,33H,12-13H2,1H3,(H,29,30,34)/t15-/m1/s1
InChIKeyGKAGQYYETVKYGA-OAHLLOKOSA-N
MW464.48 g/mol
LogP4.04
Rot. Bonds8

About 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide

2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide (PubChem CID 135348047) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
PubChem CID135348047
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
SMILESC[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(NCc3ccc(F)cc3)ccc2F)n1
InChIInChI=1S/C24H22F2N6O2/c1-15(13-33)32-14-28-31-23(32)21-3-2-4-22(29-21)30-24(34)19-11-18(9-10-20(19)26)27-12-16-5-7-17(25)8-6-16/h2-11,14-15,27,33H,12-13H2,1H3,(H,29,30,34)/t15-/m1/s1
InChIKeyGKAGQYYETVKYGA-OAHLLOKOSA-N
XLogP4.04
TPSA104.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]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 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide (CID 135348047) is 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide is C[C@H](CO)n1cnnc1-c1cccc(NC(=O)c2cc(NCc3ccc(F)cc3)ccc2F)n1.
What is the InChIKey of 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The InChIKey is GKAGQYYETVKYGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-15(13-33)32-14-28-31-23(32)21-3-2-4-22(29-21)30-24(34)19-11-18(9-10-20(19)26)27-12-16-5-7-17(25)8-6-16/h2-11,14-15,27,33H,12-13H2,1H3,(H,29,30,34)/t15-/m1/s1.
What are the key properties of 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide has a molecular weight of 464.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-fluorophenyl)methylamino]-N-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 135348047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).