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

C20H10F3N9OS — CID 134609815

IUPACN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3nccc4ccsc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C20H10F3N9OS/c21-20(22,23)16-14(10-29-31(16)18-15-11(1-3-25-18)2-6-34-15)19(33)30-13-7-12(8-24)17(26-9-13)32-27-4-5-28-32/h1-7,9-10H,(H,30,33)
InChIKeyBCMATYKDYVTXNC-UHFFFAOYSA-N
MW481.42 g/mol
LogP3.60
Rot. Bonds4

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

N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609815) has the molecular formula C20H10F3N9OS and a molecular weight of 481.42 g/mol. Its IUPAC name is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609815
Molecular FormulaC20H10F3N9OS
Molecular Weight481.42 g/mol
Exact Mass481.07
IUPAC NameN-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESN#Cc1cc(NC(=O)c2cnn(-c3nccc4ccsc34)c2C(F)(F)F)cnc1-n1nccn1
InChIInChI=1S/C20H10F3N9OS/c21-20(22,23)16-14(10-29-31(16)18-15-11(1-3-25-18)2-6-34-15)19(33)30-13-7-12(8-24)17(26-9-13)32-27-4-5-28-32/h1-7,9-10H,(H,30,33)
InChIKeyBCMATYKDYVTXNC-UHFFFAOYSA-N
XLogP3.60
TPSA127.20 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-3-carboxamide
CID 127036564
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)pyridine-4-carboxamide
CID 127034991
N-[2-(diethylamino)ethyl]-8-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 145966266
3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide
CID 44590724
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide
CID 58081335
US10336761, Example 183
CID 126484342
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-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1-methyl-1H-indazol-3-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609741
N-(5-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(pyrrolo[1,2-a]pyrazin-1-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609757
N-(5-cyano-6-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1H-pyrazolo[4,3-b]pyridin-7-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609763
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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609815) is N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is N#Cc1cc(NC(=O)c2cnn(-c3nccc4ccsc34)c2C(F)(F)F)cnc1-n1nccn1.
What is the InChIKey of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is BCMATYKDYVTXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F3N9OS/c21-20(22,23)16-14(10-29-31(16)18-15-11(1-3-25-18)2-6-34-15)19(33)30-13-7-12(8-24)17(26-9-13)32-27-4-5-28-32/h1-7,9-10H,(H,30,33).
What are the key properties of N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 481.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-6-(triazol-2-yl)-3-pyridinyl]-1-thieno[2,3-c]pyridin-7-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).