2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine

C24H23FN4O2 — CID 53466460

IUPAC2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
SMILESCOc1ccc(COc2ccc(-c3nn(CCCF)cc3-c3ccncc3)cc2)nc1
InChIInChI=1S/C24H23FN4O2/c1-30-22-8-5-20(27-15-22)17-31-21-6-3-19(4-7-21)24-23(18-9-12-26-13-10-18)16-29(28-24)14-2-11-25/h3-10,12-13,15-16H,2,11,14,17H2,1H3
InChIKeyRXVPQHPBEQUBMD-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.95
Rot. Bonds9

About 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine

2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine (PubChem CID 53466460) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine.

Molecular Properties

Compound Name2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
PubChem CID53466460
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
SMILESCOc1ccc(COc2ccc(-c3nn(CCCF)cc3-c3ccncc3)cc2)nc1
InChIInChI=1S/C24H23FN4O2/c1-30-22-8-5-20(27-15-22)17-31-21-6-3-19(4-7-21)24-23(18-9-12-26-13-10-18)16-29(28-24)14-2-11-25/h3-10,12-13,15-16H,2,11,14,17H2,1H3
InChIKeyRXVPQHPBEQUBMD-UHFFFAOYSA-N
XLogP4.95
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine?
The IUPAC name of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine (CID 53466460) is 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine.
What is the SMILES notation for 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine?
The canonical SMILES for 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine is COc1ccc(COc2ccc(-c3nn(CCCF)cc3-c3ccncc3)cc2)nc1.
What is the InChIKey of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine?
The InChIKey is RXVPQHPBEQUBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-30-22-8-5-20(27-15-22)17-31-21-6-3-19(4-7-21)24-23(18-9-12-26-13-10-18)16-29(28-24)14-2-11-25/h3-10,12-13,15-16H,2,11,14,17H2,1H3.
What are the key properties of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine?
2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine has a molecular weight of 418.47 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine is sourced from PubChem (CID 53466460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).