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

C20H21FN4O2 — CID 70686959

IUPACN-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCOC(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12
InChIInChI=1S/C20H21FN4O2/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12(2)27-3/h6-10,12,15H,4-5H2,1-3H3,(H,22,26)
InChIKeyZHUHFWARWUQLGQ-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.44
Rot. Bonds5

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

N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (PubChem CID 70686959) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
PubChem CID70686959
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide
SMILESCOC(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12
InChIInChI=1S/C20H21FN4O2/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12(2)27-3/h6-10,12,15H,4-5H2,1-3H3,(H,22,26)
InChIKeyZHUHFWARWUQLGQ-UHFFFAOYSA-N
XLogP3.44
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.44
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-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide (CID 70686959) is N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is COC(C)c1nnc2cc(-c3cc(C(=O)NC4CC4)cc(F)c3C)ccn12.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
The InChIKey is ZHUHFWARWUQLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-11-16(8-14(9-17(11)21)20(26)22-15-4-5-15)13-6-7-25-18(10-13)23-24-19(25)12(2)27-3/h6-10,12,15H,4-5H2,1-3H3,(H,22,26).
What are the key properties of N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[3-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide has a molecular weight of 368.41 g/mol, XLogP of 3.44, 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-(1-methoxyethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-4-methylbenzamide is sourced from PubChem (CID 70686959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).