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

C23H18F3N5O3S — CID 165143516

IUPAC6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccn2ncc(C(=O)N3CCc4c(C(=O)Nc5cncc(C(F)(F)F)c5)csc4C3)c2c1
InChIInChI=1S/C23H18F3N5O3S/c1-34-15-2-5-31-19(7-15)17(10-28-31)22(33)30-4-3-16-18(12-35-20(16)11-30)21(32)29-14-6-13(8-27-9-14)23(24,25)26/h2,5-10,12H,3-4,11H2,1H3,(H,29,32)
InChIKeyDQOOZVANKQHOLY-UHFFFAOYSA-N
MW501.49 g/mol
LogP4.27
Rot. Bonds4

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

6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165143516) has the molecular formula C23H18F3N5O3S and a molecular weight of 501.49 g/mol. Its IUPAC name is 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID165143516
Molecular FormulaC23H18F3N5O3S
Molecular Weight501.49 g/mol
Exact Mass501.11
IUPAC Name6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccn2ncc(C(=O)N3CCc4c(C(=O)Nc5cncc(C(F)(F)F)c5)csc4C3)c2c1
InChIInChI=1S/C23H18F3N5O3S/c1-34-15-2-5-31-19(7-15)17(10-28-31)22(33)30-4-3-16-18(12-35-20(16)11-30)21(32)29-14-6-13(8-27-9-14)23(24,25)26/h2,5-10,12H,3-4,11H2,1H3,(H,29,32)
InChIKeyDQOOZVANKQHOLY-UHFFFAOYSA-N
XLogP4.27
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-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-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 165143516) is 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is COc1ccn2ncc(C(=O)N3CCc4c(C(=O)Nc5cncc(C(F)(F)F)c5)csc4C3)c2c1.
What is the InChIKey of 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is DQOOZVANKQHOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O3S/c1-34-15-2-5-31-19(7-15)17(10-28-31)22(33)30-4-3-16-18(12-35-20(16)11-30)21(32)29-14-6-13(8-27-9-14)23(24,25)26/h2,5-10,12H,3-4,11H2,1H3,(H,29,32).
What are the key properties of 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 501.49 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).