6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C21H15F3N6O3S — CID 165143158

IUPAC6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cncc(OC(F)(F)F)c1)c1csc2c1CCN(C(=O)c1cnn3ccncc13)C2
InChIInChI=1S/C21H15F3N6O3S/c22-21(23,24)33-13-5-12(6-26-7-13)28-19(31)16-11-34-18-10-29(3-1-14(16)18)20(32)15-8-27-30-4-2-25-9-17(15)30/h2,4-9,11H,1,3,10H2,(H,28,31)
InChIKeyXFIKGMPGFQURTM-UHFFFAOYSA-N
MW488.45 g/mol
LogP3.54
Rot. Bonds4

About 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165143158) has the molecular formula C21H15F3N6O3S and a molecular weight of 488.45 g/mol. Its IUPAC name is 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID165143158
Molecular FormulaC21H15F3N6O3S
Molecular Weight488.45 g/mol
Exact Mass488.09
IUPAC Name6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESO=C(Nc1cncc(OC(F)(F)F)c1)c1csc2c1CCN(C(=O)c1cnn3ccncc13)C2
InChIInChI=1S/C21H15F3N6O3S/c22-21(23,24)33-13-5-12(6-26-7-13)28-19(31)16-11-34-18-10-29(3-1-14(16)18)20(32)15-8-27-30-4-2-25-9-17(15)30/h2,4-9,11H,1,3,10H2,(H,28,31)
InChIKeyXFIKGMPGFQURTM-UHFFFAOYSA-N
XLogP3.54
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 165143158) is 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is O=C(Nc1cncc(OC(F)(F)F)c1)c1csc2c1CCN(C(=O)c1cnn3ccncc13)C2.
What is the InChIKey of 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is XFIKGMPGFQURTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O3S/c22-21(23,24)33-13-5-12(6-26-7-13)28-19(31)16-11-34-18-10-29(3-1-14(16)18)20(32)15-8-27-30-4-2-25-9-17(15)30/h2,4-9,11H,1,3,10H2,(H,28,31).
What are the key properties of 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 488.45 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-N-[5-(trifluoromethoxy)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165143158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).