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

C22H20FN7O3 — CID 135348193

IUPAC2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCOc1nccc(Oc2ccc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c2)n1
InChIInChI=1S/C22H20FN7O3/c1-13(2)30-12-25-29-20(30)17-5-4-6-18(26-17)27-21(31)15-11-14(7-8-16(15)23)33-19-9-10-24-22(28-19)32-3/h4-13H,1-3H3,(H,26,27,31)
InChIKeyBEEDNPRRJKNBHJ-UHFFFAOYSA-N
MW449.45 g/mol
LogP3.90
Rot. Bonds7

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

2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 135348193) has the molecular formula C22H20FN7O3 and a molecular weight of 449.45 g/mol. Its IUPAC name is 2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID135348193
Molecular FormulaC22H20FN7O3
Molecular Weight449.45 g/mol
Exact Mass449.16
IUPAC Name2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCOc1nccc(Oc2ccc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c2)n1
InChIInChI=1S/C22H20FN7O3/c1-13(2)30-12-25-29-20(30)17-5-4-6-18(26-17)27-21(31)15-11-14(7-8-16(15)23)33-19-9-10-24-22(28-19)32-3/h4-13H,1-3H3,(H,26,27,31)
InChIKeyBEEDNPRRJKNBHJ-UHFFFAOYSA-N
XLogP3.90
TPSA116.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-fluoro-5-(2-methoxypyrimidin-4-yl)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

Related Compounds

5-[(5-bromo-2-pyridinyl)oxy]-2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;hydrochloride
CID 146345591
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyrimidine-2-carboxamide
CID 135347714
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 135347910
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide
CID 135348160
2-amino-5-(2-methoxyethoxy)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 156635533
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyridazin-4-ylbenzene-1,3-dicarboxamide
CID 135347720
4-fluoro-3-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-N-pyrimidin-5-ylbenzene-1,3-dicarboxamide
CID 135347726
5-bromo-N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-2-carboxamide
CID 135347773
3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146381524
6-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;hydrochloride
CID 146564819
4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135348383

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 135348193) is 2-fluoro-5-(2-methoxypyrimidin-4-yl)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-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is COc1nccc(Oc2ccc(F)c(C(=O)Nc3cccc(-c4nncn4C(C)C)n3)c2)n1.
What is the InChIKey of 2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is BEEDNPRRJKNBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O3/c1-13(2)30-12-25-29-20(30)17-5-4-6-18(26-17)27-21(31)15-11-14(7-8-16(15)23)33-19-9-10-24-22(28-19)32-3/h4-13H,1-3H3,(H,26,27,31).
What are the key properties of 2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 449.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methoxypyrimidin-4-yl)oxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 135348193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).