3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine

C18H25FN4O — CID 146126926

IUPAC3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine
SMILESCc1nn(C(C)C)cc1CN1CCC(Oc2ncccc2F)CC1
InChIInChI=1S/C18H25FN4O/c1-13(2)23-12-15(14(3)21-23)11-22-9-6-16(7-10-22)24-18-17(19)5-4-8-20-18/h4-5,8,12-13,16H,6-7,9-11H2,1-3H3
InChIKeyGLFIJXYAYBMQKB-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.35
Rot. Bonds5

About 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine

3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine (PubChem CID 146126926) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine.

Molecular Properties

Compound Name3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine
PubChem CID146126926
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine
SMILESCc1nn(C(C)C)cc1CN1CCC(Oc2ncccc2F)CC1
InChIInChI=1S/C18H25FN4O/c1-13(2)23-12-15(14(3)21-23)11-22-9-6-16(7-10-22)24-18-17(19)5-4-8-20-18/h4-5,8,12-13,16H,6-7,9-11H2,1-3H3
InChIKeyGLFIJXYAYBMQKB-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine?
The IUPAC name of 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine (CID 146126926) is 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine.
What is the SMILES notation for 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine?
The canonical SMILES for 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine is Cc1nn(C(C)C)cc1CN1CCC(Oc2ncccc2F)CC1.
What is the InChIKey of 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine?
The InChIKey is GLFIJXYAYBMQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-13(2)23-12-15(14(3)21-23)11-22-9-6-16(7-10-22)24-18-17(19)5-4-8-20-18/h4-5,8,12-13,16H,6-7,9-11H2,1-3H3.
What are the key properties of 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine?
3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine has a molecular weight of 332.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyridine is sourced from PubChem (CID 146126926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).