3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

C22H24FN5O2 — CID 25060634

IUPAC3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCC(=O)NC(C)(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12
InChIInChI=1S/C22H24FN5O2/c1-12-17(9-15(10-18(12)23)20(30)24-16-5-6-16)14-7-8-28-19(11-14)26-27-21(28)22(3,4)25-13(2)29/h7-11,16H,5-6H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyNSDUXNLLUZMQCM-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.11
Rot. Bonds5

About 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide

3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (PubChem CID 25060634) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
PubChem CID25060634
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide
SMILESCC(=O)NC(C)(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12
InChIInChI=1S/C22H24FN5O2/c1-12-17(9-15(10-18(12)23)20(30)24-16-5-6-16)14-7-8-28-19(11-14)26-27-21(28)22(3,4)25-13(2)29/h7-11,16H,5-6H2,1-4H3,(H,24,30)(H,25,29)
InChIKeyNSDUXNLLUZMQCM-UHFFFAOYSA-N
XLogP3.11
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide (CID 25060634) is 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is CC(=O)NC(C)(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12.
What is the InChIKey of 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
The InChIKey is NSDUXNLLUZMQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c1-12-17(9-15(10-18(12)23)20(30)24-16-5-6-16)14-7-8-28-19(11-14)26-27-21(28)22(3,4)25-13(2)29/h7-11,16H,5-6H2,1-4H3,(H,24,30)(H,25,29).
What are the key properties of 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide?
3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide has a molecular weight of 409.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-acetamidopropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-cyclopropyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 25060634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).