4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide

C17H15FN4O2 — CID 122539778

IUPAC4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide
SMILESCn1cc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C17H15FN4O2/c1-22-9-11(7-21-22)10-24-16-8-20-15(17(19)23)6-14(16)12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H2,19,23)
InChIKeyKGLQXLXCIPQFMF-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.30
Rot. Bonds5

About 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide

4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide (PubChem CID 122539778) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide
PubChem CID122539778
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide
SMILESCn1cc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)cn1
InChIInChI=1S/C17H15FN4O2/c1-22-9-11(7-21-22)10-24-16-8-20-15(17(19)23)6-14(16)12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H2,19,23)
InChIKeyKGLQXLXCIPQFMF-UHFFFAOYSA-N
XLogP2.30
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide (CID 122539778) is 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide is Cn1cc(COc2cnc(C(N)=O)cc2-c2ccc(F)cc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide?
The InChIKey is KGLQXLXCIPQFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-22-9-11(7-21-22)10-24-16-8-20-15(17(19)23)6-14(16)12-2-4-13(18)5-3-12/h2-9H,10H2,1H3,(H2,19,23).
What are the key properties of 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide?
4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[(1-methylpyrazol-4-yl)methoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122539778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).