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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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).