2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine

C18H25FN4O — CID 136537304

IUPAC2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine
SMILESCCn1nc(C)c(CN2CCC(Oc3ncccc3F)CC2)c1C
InChIInChI=1S/C18H25FN4O/c1-4-23-14(3)16(13(2)21-23)12-22-10-7-15(8-11-22)24-18-17(19)6-5-9-20-18/h5-6,9,15H,4,7-8,10-12H2,1-3H3
InChIKeyMVOWPDZJILFNKB-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine

2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine (PubChem CID 136537304) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine.

Molecular Properties

Compound Name2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine
PubChem CID136537304
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine
SMILESCCn1nc(C)c(CN2CCC(Oc3ncccc3F)CC2)c1C
InChIInChI=1S/C18H25FN4O/c1-4-23-14(3)16(13(2)21-23)12-22-10-7-15(8-11-22)24-18-17(19)6-5-9-20-18/h5-6,9,15H,4,7-8,10-12H2,1-3H3
InChIKeyMVOWPDZJILFNKB-UHFFFAOYSA-N
XLogP3.10
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine?
The IUPAC name of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine (CID 136537304) is 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine.
What is the SMILES notation for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine?
The canonical SMILES for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine is CCn1nc(C)c(CN2CCC(Oc3ncccc3F)CC2)c1C.
What is the InChIKey of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine?
The InChIKey is MVOWPDZJILFNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-4-23-14(3)16(13(2)21-23)12-22-10-7-15(8-11-22)24-18-17(19)6-5-9-20-18/h5-6,9,15H,4,7-8,10-12H2,1-3H3.
What are the key properties of 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine?
2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine has a molecular weight of 332.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-3-fluoropyridine is sourced from PubChem (CID 136537304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).