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

C22H18F3N3O3S — CID 155537190

IUPAC5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2nc(C)c(C(=O)NCc3ccc(-c4ccc(OC(F)(F)F)cc4)s3)c2c1
InChIInChI=1S/C22H18F3N3O3S/c1-13-20(18-11-16(30-2)9-10-28(18)27-13)21(29)26-12-17-7-8-19(32-17)14-3-5-15(6-4-14)31-22(23,24)25/h3-11H,12H2,1-2H3,(H,26,29)
InChIKeyXFKOKFUJNRQHSR-UHFFFAOYSA-N
MW461.47 g/mol
LogP5.21
Rot. Bonds6

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

5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 155537190) has the molecular formula C22H18F3N3O3S and a molecular weight of 461.47 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID155537190
Molecular FormulaC22H18F3N3O3S
Molecular Weight461.47 g/mol
Exact Mass461.10
IUPAC Name5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1ccn2nc(C)c(C(=O)NCc3ccc(-c4ccc(OC(F)(F)F)cc4)s3)c2c1
InChIInChI=1S/C22H18F3N3O3S/c1-13-20(18-11-16(30-2)9-10-28(18)27-13)21(29)26-12-17-7-8-19(32-17)14-3-5-15(6-4-14)31-22(23,24)25/h3-11H,12H2,1-2H3,(H,26,29)
InChIKeyXFKOKFUJNRQHSR-UHFFFAOYSA-N
XLogP5.21
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Methoxy-2-methyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188597
N-(4-(2-(4-(dimethylcarbamoyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46888808
6-(7-(2-fluoro-4-(1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)phenoxy)thieno[3,2-b]pyridin-2-yl)-N,N-dimethylnicotinamide
CID 46888811
2,5-dimethyl-N-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188591
5-(Pyrazolo[1,5-a]pyridin-3-yl)-3-(2-(trifluoromethyl)benzyloxy)thiophene-2-carboxamide
CID 45267745
N-(4-(2-(4-((2-(dimethylamino)ethyl)(methyl)carbamoyl)phenyl)thieno[3,2-b]pyridin-7-yloxy)-3-fluorophenyl)-1-phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46888809
anti-TB agent 1
CID 138377595
US11078197, Example 161
CID 156362098
2,5-dimethyl-N-[[6-[4-(trifluoromethoxy)phenyl]-3-pyridyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132054581
2,5-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132054604
2,5-dimethyl-N-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 132054610
N-[1-(4-methoxyphenyl)propyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137633190

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide (CID 155537190) is 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-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]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is COc1ccn2nc(C)c(C(=O)NCc3ccc(-c4ccc(OC(F)(F)F)cc4)s3)c2c1.
What is the InChIKey of 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is XFKOKFUJNRQHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3S/c1-13-20(18-11-16(30-2)9-10-28(18)27-13)21(29)26-12-17-7-8-19(32-17)14-3-5-15(6-4-14)31-22(23,24)25/h3-11H,12H2,1-2H3,(H,26,29).
What are the key properties of 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide?
5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 461.47 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 155537190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).