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

C16H11Cl2F3N4O2 — CID 24772513

IUPACN-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-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/C16H11Cl2F3N4O2/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/h2-7,26H,1H3,(H,22,23,27)
InChIKeyMRBWGNISLLFDCV-UHFFFAOYSA-N
MW419.19 g/mol
LogP4.36
Rot. Bonds3

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

N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 24772513) has the molecular formula C16H11Cl2F3N4O2 and a molecular weight of 419.19 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID24772513
Molecular FormulaC16H11Cl2F3N4O2
Molecular Weight419.19 g/mol
Exact Mass418.02
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-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/C16H11Cl2F3N4O2/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/h2-7,26H,1H3,(H,22,23,27)
InChIKeyMRBWGNISLLFDCV-UHFFFAOYSA-N
XLogP4.36
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.19
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide (CID 24772513) is N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-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 N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is MRBWGNISLLFDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N4O2/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/h2-7,26H,1H3,(H,22,23,27).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 419.19 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-7-(1-hydroxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 24772513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).