2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide

C16H14F2N4O2S — CID 8851814

IUPAC2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cccnc2SC(F)F)o1
InChIInChI=1S/C16H14F2N4O2S/c1-10-4-5-11(24-10)9-22-13(6-8-20-22)21-14(23)12-3-2-7-19-15(12)25-16(17)18/h2-8,16H,9H2,1H3,(H,21,23)
InChIKeyOKEFJQYGFNGENL-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.79
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 8851814) has the molecular formula C16H14F2N4O2S and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID8851814
Molecular FormulaC16H14F2N4O2S
Molecular Weight364.38 g/mol
Exact Mass364.08
IUPAC Name2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2cccnc2SC(F)F)o1
InChIInChI=1S/C16H14F2N4O2S/c1-10-4-5-11(24-10)9-22-13(6-8-20-22)21-14(23)12-3-2-7-19-15(12)25-16(17)18/h2-8,16H,9H2,1H3,(H,21,23)
InChIKeyOKEFJQYGFNGENL-UHFFFAOYSA-N
XLogP3.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide (CID 8851814) is 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2cccnc2SC(F)F)o1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is OKEFJQYGFNGENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2S/c1-10-4-5-11(24-10)9-22-13(6-8-20-22)21-14(23)12-3-2-7-19-15(12)25-16(17)18/h2-8,16H,9H2,1H3,(H,21,23).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8851814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).