1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

C18H9F6N5OS — CID 134609891

IUPAC1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cncc3sccc23)c1C(F)(F)F
InChIInChI=1S/C18H9F6N5OS/c19-17(20,21)14-5-9(1-3-26-14)28-16(30)11-6-27-29(15(11)18(22,23)24)12-7-25-8-13-10(12)2-4-31-13/h1-8H,(H,26,28,30)
InChIKeyQBLZGDNAVMHHHR-UHFFFAOYSA-N
MW457.36 g/mol
LogP5.17
Rot. Bonds3

About 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide

1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (PubChem CID 134609891) has the molecular formula C18H9F6N5OS and a molecular weight of 457.36 g/mol. Its IUPAC name is 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
PubChem CID134609891
Molecular FormulaC18H9F6N5OS
Molecular Weight457.36 g/mol
Exact Mass457.04
IUPAC Name1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
SMILESO=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cncc3sccc23)c1C(F)(F)F
InChIInChI=1S/C18H9F6N5OS/c19-17(20,21)14-5-9(1-3-26-14)28-16(30)11-6-27-29(15(11)18(22,23)24)12-7-25-8-13-10(12)2-4-31-13/h1-8H,(H,26,28,30)
InChIKeyQBLZGDNAVMHHHR-UHFFFAOYSA-N
XLogP5.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.36
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
5-amino-3,4-dimethyl-N-[1-[6-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]thieno[2,3-c]pyridazine-6-carboxamide
CID 137646732
N-(2-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155528043
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]acetamide
CID 155541940
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide
CID 58081335
N-[[5-(1-methylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 89793565
US9776991, Example 151
CID 118112650
US9951086, Example 187
CID 118172529
N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 118193536
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609790
N-(5-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(thieno[2,3-c]pyrimidin-7-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609815

Frequently Asked Questions

What is the IUPAC name of 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide (CID 134609891) is 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is O=C(Nc1ccnc(C(F)(F)F)c1)c1cnn(-c2cncc3sccc23)c1C(F)(F)F.
What is the InChIKey of 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is QBLZGDNAVMHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F6N5OS/c19-17(20,21)14-5-9(1-3-26-14)28-16(30)11-6-27-29(15(11)18(22,23)24)12-7-25-8-13-10(12)2-4-31-13/h1-8H,(H,26,28,30).
What are the key properties of 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide?
1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 457.36 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thieno[2,3-c]pyridin-4-yl-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 134609891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).