4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide

C17H14F3N5O2 — CID 122539642

IUPAC4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)ncc2OCc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C17H14F3N5O2/c1-25-8-11(6-24-25)12-4-13(16(21)26)22-7-14(12)27-9-10-2-3-15(23-5-10)17(18,19)20/h2-8H,9H2,1H3,(H2,21,26)
InChIKeyDJRPBCHVRCKSSR-UHFFFAOYSA-N
MW377.33 g/mol
LogP2.57
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide

4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide (PubChem CID 122539642) has the molecular formula C17H14F3N5O2 and a molecular weight of 377.33 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
PubChem CID122539642
Molecular FormulaC17H14F3N5O2
Molecular Weight377.33 g/mol
Exact Mass377.11
IUPAC Name4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)ncc2OCc2ccc(C(F)(F)F)nc2)cn1
InChIInChI=1S/C17H14F3N5O2/c1-25-8-11(6-24-25)12-4-13(16(21)26)22-7-14(12)27-9-10-2-3-15(23-5-10)17(18,19)20/h2-8H,9H2,1H3,(H2,21,26)
InChIKeyDJRPBCHVRCKSSR-UHFFFAOYSA-N
XLogP2.57
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide (CID 122539642) is 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide is Cn1cc(-c2cc(C(N)=O)ncc2OCc2ccc(C(F)(F)F)nc2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
The InChIKey is DJRPBCHVRCKSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2/c1-25-8-11(6-24-25)12-4-13(16(21)26)22-7-14(12)27-9-10-2-3-15(23-5-10)17(18,19)20/h2-8H,9H2,1H3,(H2,21,26).
What are the key properties of 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide?
4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-5-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).