5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide

C24H19F3N6O2 — CID 135347890

IUPAC5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(F)c(C(=O)Nc2cccc(-c3nncn3C(CF)CF)n2)c1)c1ccccc1
InChIInChI=1S/C24H19F3N6O2/c25-12-17(13-26)33-14-28-32-22(33)20-7-4-8-21(30-20)31-24(35)18-11-16(9-10-19(18)27)29-23(34)15-5-2-1-3-6-15/h1-11,14,17H,12-13H2,(H,29,34)(H,30,31,35)
InChIKeyVPWWBDHUSIKEER-UHFFFAOYSA-N
MW480.45 g/mol
LogP4.46
Rot. Bonds8

About 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide

5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide (PubChem CID 135347890) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide
PubChem CID135347890
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC Name5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide
SMILESO=C(Nc1ccc(F)c(C(=O)Nc2cccc(-c3nncn3C(CF)CF)n2)c1)c1ccccc1
InChIInChI=1S/C24H19F3N6O2/c25-12-17(13-26)33-14-28-32-22(33)20-7-4-8-21(30-20)31-24(35)18-11-16(9-10-19(18)27)29-23(34)15-5-2-1-3-6-15/h1-11,14,17H,12-13H2,(H,29,34)(H,30,31,35)
InChIKeyVPWWBDHUSIKEER-UHFFFAOYSA-N
XLogP4.46
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide 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 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The IUPAC name of 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide (CID 135347890) is 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide.
What is the SMILES notation for 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The canonical SMILES for 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide is O=C(Nc1ccc(F)c(C(=O)Nc2cccc(-c3nncn3C(CF)CF)n2)c1)c1ccccc1.
What is the InChIKey of 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide?
The InChIKey is VPWWBDHUSIKEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c25-12-17(13-26)33-14-28-32-22(33)20-7-4-8-21(30-20)31-24(35)18-11-16(9-10-19(18)27)29-23(34)15-5-2-1-3-6-15/h1-11,14,17H,12-13H2,(H,29,34)(H,30,31,35).
What are the key properties of 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide?
5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide has a molecular weight of 480.45 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-N-[6-[4-(1,3-difluoropropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2-fluorobenzamide is sourced from PubChem (CID 135347890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).