2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine

C16H14F2N4OS — CID 130360609

IUPAC2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine
SMILESCSc1cncc(COc2ccc(-c3[nH]ncc3C(F)F)nc2)c1
InChIInChI=1S/C16H14F2N4OS/c1-24-12-4-10(5-19-7-12)9-23-11-2-3-14(20-6-11)15-13(16(17)18)8-21-22-15/h2-8,16H,9H2,1H3,(H,21,22)
InChIKeyDMGLALQNPOWZRT-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.11
Rot. Bonds6

About 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine

2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine (PubChem CID 130360609) has the molecular formula C16H14F2N4OS and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine
PubChem CID130360609
Molecular FormulaC16H14F2N4OS
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine
SMILESCSc1cncc(COc2ccc(-c3[nH]ncc3C(F)F)nc2)c1
InChIInChI=1S/C16H14F2N4OS/c1-24-12-4-10(5-19-7-12)9-23-11-2-3-14(20-6-11)15-13(16(17)18)8-21-22-15/h2-8,16H,9H2,1H3,(H,21,22)
InChIKeyDMGLALQNPOWZRT-UHFFFAOYSA-N
XLogP4.11
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470
5-[(3-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360897
5-[(1-methylsulfonylpiperidin-4-yl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 137364304
5-[[(3R)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790556
5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790564
1-[(3S)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
CID 155790580
3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzonitrile
CID 155790625
5-[(4-fluorophenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790628
1-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethanone
CID 155790660
(3S)-N,N-dimethyl-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidine-1-sulfonamide
CID 155790733
5-[(4-methylsulfonylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790746
4-methyl-5-[2-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]ethyl]-1,3-thiazole
CID 168287902

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine?
The IUPAC name of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine (CID 130360609) is 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine.
What is the SMILES notation for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine?
The canonical SMILES for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine is CSc1cncc(COc2ccc(-c3[nH]ncc3C(F)F)nc2)c1.
What is the InChIKey of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine?
The InChIKey is DMGLALQNPOWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4OS/c1-24-12-4-10(5-19-7-12)9-23-11-2-3-14(20-6-11)15-13(16(17)18)8-21-22-15/h2-8,16H,9H2,1H3,(H,21,22).
What are the key properties of 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine?
2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine has a molecular weight of 348.38 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-1H-pyrazol-5-yl]-5-[(5-methylsulfanyl-3-pyridinyl)methoxy]pyridine is sourced from PubChem (CID 130360609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).