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

C21H21F3N4O4 — CID 170752902

IUPAC5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)N(Cc1ccn2ncc(C(N)=O)c2c1)C(=O)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O4/c1-13(2)27(11-14-7-8-28-18(9-14)17(10-26-28)20(25)30)19(29)12-31-15-3-5-16(6-4-15)32-21(22,23)24/h3-10,13H,11-12H2,1-2H3,(H2,25,30)
InChIKeyXTQULSYUZZKACG-UHFFFAOYSA-N
MW450.42 g/mol
LogP3.15
Rot. Bonds8

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

5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 170752902) has the molecular formula C21H21F3N4O4 and a molecular weight of 450.42 g/mol. Its IUPAC name is 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID170752902
Molecular FormulaC21H21F3N4O4
Molecular Weight450.42 g/mol
Exact Mass450.15
IUPAC Name5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCC(C)N(Cc1ccn2ncc(C(N)=O)c2c1)C(=O)COc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O4/c1-13(2)27(11-14-7-8-28-18(9-14)17(10-26-28)20(25)30)19(29)12-31-15-3-5-16(6-4-15)32-21(22,23)24/h3-10,13H,11-12H2,1-2H3,(H2,25,30)
InChIKeyXTQULSYUZZKACG-UHFFFAOYSA-N
XLogP3.15
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 170752902) is 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is CC(C)N(Cc1ccn2ncc(C(N)=O)c2c1)C(=O)COc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XTQULSYUZZKACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O4/c1-13(2)27(11-14-7-8-28-18(9-14)17(10-26-28)20(25)30)19(29)12-31-15-3-5-16(6-4-15)32-21(22,23)24/h3-10,13H,11-12H2,1-2H3,(H2,25,30).
What are the key properties of 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[propan-2-yl-[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 170752902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).