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

C21H23FN4O2 — CID 25060631

IUPACN-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCOC(C)(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12
InChIInChI=1S/C21H23FN4O2/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)28-4/h7-11,15H,5-6H2,1-4H3,(H,23,27)
InChIKeyICINWIVXHDIUTM-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.62
Rot. Bonds5

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

N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (PubChem CID 25060631) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
PubChem CID25060631
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCOC(C)(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12
InChIInChI=1S/C21H23FN4O2/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)28-4/h7-11,15H,5-6H2,1-4H3,(H,23,27)
InChIKeyICINWIVXHDIUTM-UHFFFAOYSA-N
XLogP3.62
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (CID 25060631) is N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is COC(C)(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The InChIKey is ICINWIVXHDIUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-12-16(9-14(10-17(12)22)19(27)23-15-5-6-15)13-7-8-26-18(11-13)24-25-20(26)21(2,3)28-4/h7-11,15H,5-6H2,1-4H3,(H,23,27).
What are the key properties of N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide has a molecular weight of 382.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[3-(2-methoxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 25060631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).