2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide

C19H13F2N5O2 — CID 58486815

IUPAC2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide
SMILESCn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C19H13F2N5O2/c1-26-15(8-13(25-26)16-6-3-7-28-16)14-9-23-17(10-22-14)24-19(27)18-11(20)4-2-5-12(18)21/h2-10H,1H3,(H,23,24,27)
InChIKeySVIYAVZHRNGJLE-UHFFFAOYSA-N
MW381.34 g/mol
LogP3.67
Rot. Bonds4

About 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide

2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide (PubChem CID 58486815) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide
PubChem CID58486815
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide
SMILESCn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C19H13F2N5O2/c1-26-15(8-13(25-26)16-6-3-7-28-16)14-9-23-17(10-22-14)24-19(27)18-11(20)4-2-5-12(18)21/h2-10H,1H3,(H,23,24,27)
InChIKeySVIYAVZHRNGJLE-UHFFFAOYSA-N
XLogP3.67
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide (CID 58486815) is 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide is Cn1nc(-c2ccco2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide?
The InChIKey is SVIYAVZHRNGJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c1-26-15(8-13(25-26)16-6-3-7-28-16)14-9-23-17(10-22-14)24-19(27)18-11(20)4-2-5-12(18)21/h2-10H,1H3,(H,23,24,27).
What are the key properties of 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide has a molecular weight of 381.34 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 58486815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).