N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide

C18H14F4N4O — CID 25060633

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(F)(F)F)nnc2c1
InChIInChI=1S/C18H14F4N4O/c1-9-13(6-11(7-14(9)19)16(27)23-12-2-3-12)10-4-5-26-15(8-10)24-25-17(26)18(20,21)22/h4-8,12H,2-3H2,1H3,(H,23,27)
InChIKeyPLXNZDRHENDHTQ-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.75
Rot. Bonds3

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

N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (PubChem CID 25060633) has the molecular formula C18H14F4N4O and a molecular weight of 378.33 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
PubChem CID25060633
Molecular FormulaC18H14F4N4O
Molecular Weight378.33 g/mol
Exact Mass378.11
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(F)(F)F)nnc2c1
InChIInChI=1S/C18H14F4N4O/c1-9-13(6-11(7-14(9)19)16(27)23-12-2-3-12)10-4-5-26-15(8-10)24-25-17(26)18(20,21)22/h4-8,12H,2-3H2,1H3,(H,23,27)
InChIKeyPLXNZDRHENDHTQ-UHFFFAOYSA-N
XLogP3.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide (CID 25060633) is N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccn2c(C(F)(F)F)nnc2c1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
The InChIKey is PLXNZDRHENDHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O/c1-9-13(6-11(7-14(9)19)16(27)23-12-2-3-12)10-4-5-26-15(8-10)24-25-17(26)18(20,21)22/h4-8,12H,2-3H2,1H3,(H,23,27).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide has a molecular weight of 378.33 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]benzamide is sourced from PubChem (CID 25060633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).