5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

C21H17F3N4O4 — CID 155547904

IUPAC5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2nc(C)c(C(=O)NCc3ncc(-c4ccc(OC(F)(F)F)cc4)o3)c2c1
InChIInChI=1S/C21H17F3N4O4/c1-12-19(16-9-15(30-2)7-8-28(16)27-12)20(29)26-11-18-25-10-17(31-18)13-3-5-14(6-4-13)32-21(22,23)24/h3-10H,11H2,1-2H3,(H,26,29)
InChIKeyNCAYJSIAHVWLHP-UHFFFAOYSA-N
MW446.39 g/mol
LogP4.13
Rot. Bonds6

About 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 155547904) has the molecular formula C21H17F3N4O4 and a molecular weight of 446.39 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID155547904
Molecular FormulaC21H17F3N4O4
Molecular Weight446.39 g/mol
Exact Mass446.12
IUPAC Name5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2nc(C)c(C(=O)NCc3ncc(-c4ccc(OC(F)(F)F)cc4)o3)c2c1
InChIInChI=1S/C21H17F3N4O4/c1-12-19(16-9-15(30-2)7-8-28(16)27-12)20(29)26-11-18-25-10-17(31-18)13-3-5-14(6-4-13)32-21(22,23)24/h3-10H,11H2,1-2H3,(H,26,29)
InChIKeyNCAYJSIAHVWLHP-UHFFFAOYSA-N
XLogP4.13
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 155547904) is 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccn2nc(C)c(C(=O)NCc3ncc(-c4ccc(OC(F)(F)F)cc4)o3)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is NCAYJSIAHVWLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O4/c1-12-19(16-9-15(30-2)7-8-28(16)27-12)20(29)26-11-18-25-10-17(31-18)13-3-5-14(6-4-13)32-21(22,23)24/h3-10H,11H2,1-2H3,(H,26,29).
What are the key properties of 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 446.39 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155547904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).