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

C21H17F3N4O3S — CID 155553265

IUPAC5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2nc(C)c(C(=O)NCc3cnc(-c4ccc(OC(F)(F)F)cc4)s3)c2c1
InChIInChI=1S/C21H17F3N4O3S/c1-12-18(17-9-15(30-2)7-8-28(17)27-12)19(29)25-10-16-11-26-20(32-16)13-3-5-14(6-4-13)31-21(22,23)24/h3-9,11H,10H2,1-2H3,(H,25,29)
InChIKeyAJYRHOQWOGWUNG-UHFFFAOYSA-N
MW462.45 g/mol
LogP4.60
Rot. Bonds6

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

5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 155553265) has the molecular formula C21H17F3N4O3S and a molecular weight of 462.45 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID155553265
Molecular FormulaC21H17F3N4O3S
Molecular Weight462.45 g/mol
Exact Mass462.10
IUPAC Name5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2nc(C)c(C(=O)NCc3cnc(-c4ccc(OC(F)(F)F)cc4)s3)c2c1
InChIInChI=1S/C21H17F3N4O3S/c1-12-18(17-9-15(30-2)7-8-28(17)27-12)19(29)25-10-16-11-26-20(32-16)13-3-5-14(6-4-13)31-21(22,23)24/h3-9,11H,10H2,1-2H3,(H,25,29)
InChIKeyAJYRHOQWOGWUNG-UHFFFAOYSA-N
XLogP4.60
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.45
LogP ≤ 54.60
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-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 155553265) is 5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccn2nc(C)c(C(=O)NCc3cnc(-c4ccc(OC(F)(F)F)cc4)s3)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AJYRHOQWOGWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3S/c1-12-18(17-9-15(30-2)7-8-28(17)27-12)19(29)25-10-16-11-26-20(32-16)13-3-5-14(6-4-13)31-21(22,23)24/h3-9,11H,10H2,1-2H3,(H,25,29).
What are the key properties of 5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-methoxy-2-methyl-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 462.45 g/mol, XLogP of 4.60, 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-[[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155553265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).