N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H10ClF5N8OS — CID 134610220

IUPACN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cnc(C(F)F)c3sccc23)c1C(F)(F)F
InChIInChI=1S/C20H10ClF5N8OS/c21-12-5-9(6-28-18(12)34-29-2-3-30-34)32-19(35)11-7-31-33(16(11)20(24,25)26)13-8-27-14(17(22)23)15-10(13)1-4-36-15/h1-8,17H,(H,32,35)
InChIKeySKLLMRPKCNTSGJ-UHFFFAOYSA-N
MW540.87 g/mol
LogP5.32
Rot. Bonds5

About N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134610220) has the molecular formula C20H10ClF5N8OS and a molecular weight of 540.87 g/mol. Its IUPAC name is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134610220
Molecular FormulaC20H10ClF5N8OS
Molecular Weight540.87 g/mol
Exact Mass540.03
IUPAC NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cnc(C(F)F)c3sccc23)c1C(F)(F)F
InChIInChI=1S/C20H10ClF5N8OS/c21-12-5-9(6-28-18(12)34-29-2-3-30-34)32-19(35)11-7-31-33(16(11)20(24,25)26)13-8-27-14(17(22)23)15-10(13)1-4-36-15/h1-8,17H,(H,32,35)
InChIKeySKLLMRPKCNTSGJ-UHFFFAOYSA-N
XLogP5.32
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.87
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(2-chloro-6-fluoroanilino)pyrazolo[3,4-c]pyridin-1-yl]-N-methylthiophene-2-carboxamide
CID 156165095
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-(6-(4-amino-2H-1,2,3-triazol-2-yl)-5-chloropyridin-3-yl)-1-(benzo[d]thiazol-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609736
N-(5-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(thieno[3,2-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609738
N-(5-chloro-2-methyl-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(7-methylpyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609750
N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(7-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609767
N-(5-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(thiazolo[5,4-d]pyrimidin-7-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609768
1-(benzo[d]isothiazol-3-yl)-N-(5-chloro-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609770
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-chloro-2-methyl-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(7-(3-hydroxyazetidin-1-yl)thieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609796
N-(5-chloro-2-methyl-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(pyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609804
1-(benzo[d][1,2,3]thiadiazol-7-yl)-N-(5-chloro-2-methyl-6-(1H-pyrazol-1-yl)pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609806

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134610220) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cnc(C(F)F)c3sccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SKLLMRPKCNTSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF5N8OS/c21-12-5-9(6-28-18(12)34-29-2-3-30-34)32-19(35)11-7-31-33(16(11)20(24,25)26)13-8-27-14(17(22)23)15-10(13)1-4-36-15/h1-8,17H,(H,32,35).
What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 540.87 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[7-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134610220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).