2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C23H21FN6O3 — CID 135348021

IUPAC2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCOc1cccc(Oc2ccc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c2)n1
InChIInChI=1S/C23H21FN6O3/c1-14(2)30-13-25-29-22(30)18-6-4-7-19(26-18)27-23(31)16-12-15(10-11-17(16)24)33-21-9-5-8-20(28-21)32-3/h4-14H,1-3H3,(H,26,27,31)
InChIKeyNGCTYVIGKKIWSH-UHFFFAOYSA-N
MW448.46 g/mol
LogP4.51
Rot. Bonds7

About 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135348021) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID135348021
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCOc1cccc(Oc2ccc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c2)n1
InChIInChI=1S/C23H21FN6O3/c1-14(2)30-13-25-29-22(30)18-6-4-7-19(26-18)27-23(31)16-12-15(10-11-17(16)24)33-21-9-5-8-20(28-21)32-3/h4-14H,1-3H3,(H,26,27,31)
InChIKeyNGCTYVIGKKIWSH-UHFFFAOYSA-N
XLogP4.51
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-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-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135348021) is 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is COc1cccc(Oc2ccc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c2)n1.
What is the InChIKey of 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is NGCTYVIGKKIWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-14(2)30-13-25-29-22(30)18-6-4-7-19(26-18)27-23(31)16-12-15(10-11-17(16)24)33-21-9-5-8-20(28-21)32-3/h4-14H,1-3H3,(H,26,27,31).
What are the key properties of 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 448.46 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(6-methoxy-2-pyridinyl)oxy]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135348021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).