N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

C23H17BrFN7O — CID 138692430

IUPACN-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(=O)Nc3ccc(F)cc3Br)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H17BrFN7O/c1-14-3-2-4-22(28-14)32-20(15-5-8-21-26-13-27-31(21)12-15)10-17(30-32)11-23(33)29-19-7-6-16(25)9-18(19)24/h2-10,12-13H,11H2,1H3,(H,29,33)
InChIKeyFVGLAAWLKKJNFX-UHFFFAOYSA-N
MW506.34 g/mol
LogP4.37
Rot. Bonds5

About N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide

N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (PubChem CID 138692430) has the molecular formula C23H17BrFN7O and a molecular weight of 506.34 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
PubChem CID138692430
Molecular FormulaC23H17BrFN7O
Molecular Weight506.34 g/mol
Exact Mass505.07
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide
SMILESCc1cccc(-n2nc(CC(=O)Nc3ccc(F)cc3Br)cc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H17BrFN7O/c1-14-3-2-4-22(28-14)32-20(15-5-8-21-26-13-27-31(21)12-15)10-17(30-32)11-23(33)29-19-7-6-16(25)9-18(19)24/h2-10,12-13H,11H2,1H3,(H,29,33)
InChIKeyFVGLAAWLKKJNFX-UHFFFAOYSA-N
XLogP4.37
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide (CID 138692430) is N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is Cc1cccc(-n2nc(CC(=O)Nc3ccc(F)cc3Br)cc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
The InChIKey is FVGLAAWLKKJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrFN7O/c1-14-3-2-4-22(28-14)32-20(15-5-8-21-26-13-27-31(21)12-15)10-17(30-32)11-23(33)29-19-7-6-16(25)9-18(19)24/h2-10,12-13H,11H2,1H3,(H,29,33).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide?
N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide has a molecular weight of 506.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-[1-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 138692430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).