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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Related Compounds

Jnj-42259152
CID 51353528
7-(Cyclopentyloxy)-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027369
7-Ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027376
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-pyrazolo[1,5-a]pyridine
CID 44215412
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372
2-[[4-[1-(3-Fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466374
3-Fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466523
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methoxypyridine
CID 53466529
3-[[4-[4-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 10247561
3-{[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)oxy]methyl}pyridine
CID 16187808

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).