2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine

C24H23FN4O — CID 53466374

IUPAC2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(-c3nn(CCCF)cc3-c3ccncc3)cc2)n1
InChIInChI=1S/C24H23FN4O/c1-18-4-2-5-21(27-18)17-30-22-8-6-20(7-9-22)24-23(19-10-13-26-14-11-19)16-29(28-24)15-3-12-25/h2,4-11,13-14,16H,3,12,15,17H2,1H3
InChIKeyGIFXNIAGKRIWTN-UHFFFAOYSA-N
MW402.47 g/mol
LogP5.25
Rot. Bonds8

About 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine

2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine (PubChem CID 53466374) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
PubChem CID53466374
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
SMILESCc1cccc(COc2ccc(-c3nn(CCCF)cc3-c3ccncc3)cc2)n1
InChIInChI=1S/C24H23FN4O/c1-18-4-2-5-21(27-18)17-30-22-8-6-20(7-9-22)24-23(19-10-13-26-14-11-19)16-29(28-24)15-3-12-25/h2,4-11,13-14,16H,3,12,15,17H2,1H3
InChIKeyGIFXNIAGKRIWTN-UHFFFAOYSA-N
XLogP5.25
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-6-methylpyridine?
The IUPAC name of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine (CID 53466374) is 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine.
What is the SMILES notation for 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine?
The canonical SMILES for 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine is Cc1cccc(COc2ccc(-c3nn(CCCF)cc3-c3ccncc3)cc2)n1.
What is the InChIKey of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine?
The InChIKey is GIFXNIAGKRIWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-18-4-2-5-21(27-18)17-30-22-8-6-20(7-9-22)24-23(19-10-13-26-14-11-19)16-29(28-24)15-3-12-25/h2,4-11,13-14,16H,3,12,15,17H2,1H3.
What are the key properties of 2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine?
2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine has a molecular weight of 402.47 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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]-6-methylpyridine is sourced from PubChem (CID 53466374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).