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

C20H10ClF5N8OS — CID 134609790

IUPACN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cncc3sc(C(F)F)cc23)c1C(F)(F)F
InChIInChI=1S/C20H10ClF5N8OS/c21-12-3-9(5-28-18(12)34-29-1-2-30-34)32-19(35)11-6-31-33(16(11)20(24,25)26)13-7-27-8-15-10(13)4-14(36-15)17(22)23/h1-8,17H,(H,32,35)
InChIKeyRANLEHKPMHSMGM-UHFFFAOYSA-N
MW540.87 g/mol
LogP5.32
Rot. Bonds5

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

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609790) 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-[2-(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-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609790
Molecular FormulaC20H10ClF5N8OS
Molecular Weight540.87 g/mol
Exact Mass540.03
IUPAC NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cncc3sc(C(F)F)cc23)c1C(F)(F)F
InChIInChI=1S/C20H10ClF5N8OS/c21-12-3-9(5-28-18(12)34-29-1-2-30-34)32-19(35)11-6-31-33(16(11)20(24,25)26)13-7-27-8-15-10(13)4-14(36-15)17(22)23/h1-8,17H,(H,32,35)
InChIKeyRANLEHKPMHSMGM-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-[2-(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-(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-(imidazo[1,5-a]pyridin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609756
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
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-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
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
4-(4-((5-chloro-2-methyl-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)carbamoyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)thieno[2,3-c]pyridine-7-carboxamide
CID 134609833

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(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-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609790) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(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-[2-(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-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cncc3sc(C(F)F)cc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RANLEHKPMHSMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClF5N8OS/c21-12-3-9(5-28-18(12)34-29-1-2-30-34)32-19(35)11-6-31-33(16(11)20(24,25)26)13-7-27-8-15-10(13)4-14(36-15)17(22)23/h1-8,17H,(H,32,35).
What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-[2-(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-[2-(difluoromethyl)thieno[2,3-c]pyridin-4-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).