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

C24H23FN4O2 — CID 53466458

IUPAC2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
SMILESCOc1cccnc1COc1ccc(-c2nn(CCCF)cc2-c2ccncc2)cc1
InChIInChI=1S/C24H23FN4O2/c1-30-23-4-2-12-27-22(23)17-31-20-7-5-19(6-8-20)24-21(18-9-13-26-14-10-18)16-29(28-24)15-3-11-25/h2,4-10,12-14,16H,3,11,15,17H2,1H3
InChIKeyLDCRWOCHZOKPCU-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.95
Rot. Bonds9

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

2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine (PubChem CID 53466458) 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]-3-methoxypyridine.

Molecular Properties

Compound Name2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
PubChem CID53466458
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine
SMILESCOc1cccnc1COc1ccc(-c2nn(CCCF)cc2-c2ccncc2)cc1
InChIInChI=1S/C24H23FN4O2/c1-30-23-4-2-12-27-22(23)17-31-20-7-5-19(6-8-20)24-21(18-9-13-26-14-10-18)16-29(28-24)15-3-11-25/h2,4-10,12-14,16H,3,11,15,17H2,1H3
InChIKeyLDCRWOCHZOKPCU-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]-3-methoxypyridine?
The IUPAC name of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine (CID 53466458) is 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine.
What is the SMILES notation for 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine?
The canonical SMILES for 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine is COc1cccnc1COc1ccc(-c2nn(CCCF)cc2-c2ccncc2)cc1.
What is the InChIKey of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine?
The InChIKey is LDCRWOCHZOKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-30-23-4-2-12-27-22(23)17-31-20-7-5-19(6-8-20)24-21(18-9-13-26-14-10-18)16-29(28-24)15-3-11-25/h2,4-10,12-14,16H,3,11,15,17H2,1H3.
What are the key properties of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-methoxypyridine?
2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3-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]-3-methoxypyridine is sourced from PubChem (CID 53466458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).