7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide

C16H9Cl2F3N4O2 — CID 59227409

IUPAC7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H9Cl2F3N4O2/c1-7(26)11-3-2-8(12-4-13(16(19,20)21)24-25(11)12)15(27)23-14-9(17)5-22-6-10(14)18/h2-6H,1H3,(H,22,23,27)
InChIKeyQHAJNTFLVQPGDQ-UHFFFAOYSA-N
MW417.17 g/mol
LogP4.51
Rot. Bonds3

About 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide

7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 59227409) has the molecular formula C16H9Cl2F3N4O2 and a molecular weight of 417.17 g/mol. Its IUPAC name is 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID59227409
Molecular FormulaC16H9Cl2F3N4O2
Molecular Weight417.17 g/mol
Exact Mass416.01
IUPAC Name7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC(=O)c1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C16H9Cl2F3N4O2/c1-7(26)11-3-2-8(12-4-13(16(19,20)21)24-25(11)12)15(27)23-14-9(17)5-22-6-10(14)18/h2-6H,1H3,(H,22,23,27)
InChIKeyQHAJNTFLVQPGDQ-UHFFFAOYSA-N
XLogP4.51
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.17
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide (CID 59227409) is 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide is CC(=O)c1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)(F)F)nn12.
What is the InChIKey of 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is QHAJNTFLVQPGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4O2/c1-7(26)11-3-2-8(12-4-13(16(19,20)21)24-25(11)12)15(27)23-14-9(17)5-22-6-10(14)18/h2-6H,1H3,(H,22,23,27).
What are the key properties of 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 417.17 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-N-(3,5-dichloro-4-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 59227409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).