5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C19H17F3N4O3 — CID 170752864

IUPAC5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(Cc1ccn2ncc(C(N)=O)c2c1)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N4O3/c1-25(10-12-6-7-26-16(8-12)15(9-24-26)18(23)28)17(27)11-29-14-4-2-13(3-5-14)19(20,21)22/h2-9H,10-11H2,1H3,(H2,23,28)
InChIKeyIVOUOJZEYXJJFJ-UHFFFAOYSA-N
MW406.36 g/mol
LogP2.49
Rot. Bonds6

About 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170752864) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170752864
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCN(Cc1ccn2ncc(C(N)=O)c2c1)C(=O)COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F3N4O3/c1-25(10-12-6-7-26-16(8-12)15(9-24-26)18(23)28)17(27)11-29-14-4-2-13(3-5-14)19(20,21)22/h2-9H,10-11H2,1H3,(H2,23,28)
InChIKeyIVOUOJZEYXJJFJ-UHFFFAOYSA-N
XLogP2.49
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 170752864) is 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CN(Cc1ccn2ncc(C(N)=O)c2c1)C(=O)COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is IVOUOJZEYXJJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c1-25(10-12-6-7-26-16(8-12)15(9-24-26)18(23)28)17(27)11-29-14-4-2-13(3-5-14)19(20,21)22/h2-9H,10-11H2,1H3,(H2,23,28).
What are the key properties of 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170752864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).