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

C22H14ClF3N8OS — CID 134609767

IUPACN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cnc(C3CC3)c3sccc23)c1C(F)(F)F
InChIInChI=1S/C22H14ClF3N8OS/c23-15-7-12(8-28-20(15)34-29-4-5-30-34)32-21(35)14-9-31-33(19(14)22(24,25)26)16-10-27-17(11-1-2-11)18-13(16)3-6-36-18/h3-11H,1-2H2,(H,32,35)
InChIKeyRZQJIPFUUFOCQM-UHFFFAOYSA-N
MW530.92 g/mol
LogP5.26
Rot. Bonds5

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

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609767) has the molecular formula C22H14ClF3N8OS and a molecular weight of 530.92 g/mol. Its IUPAC name is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[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-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609767
Molecular FormulaC22H14ClF3N8OS
Molecular Weight530.92 g/mol
Exact Mass530.07
IUPAC NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cnc(C3CC3)c3sccc23)c1C(F)(F)F
InChIInChI=1S/C22H14ClF3N8OS/c23-15-7-12(8-28-20(15)34-29-4-5-30-34)32-21(35)14-9-31-33(19(14)22(24,25)26)16-10-27-17(11-1-2-11)18-13(16)3-6-36-18/h3-11H,1-2H2,(H,32,35)
InChIKeyRZQJIPFUUFOCQM-UHFFFAOYSA-N
XLogP5.26
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.92
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[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-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609767) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[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-cyclopropylthieno[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-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1cnn(-c2cnc(C3CC3)c3sccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RZQJIPFUUFOCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N8OS/c23-15-7-12(8-28-20(15)34-29-4-5-30-34)32-21(35)14-9-31-33(19(14)22(24,25)26)16-10-27-17(11-1-2-11)18-13(16)3-6-36-18/h3-11H,1-2H2,(H,32,35).
What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(7-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 530.92 g/mol, XLogP of 5.26, 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-cyclopropylthieno[2,3-c]pyridin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).