5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

C23H17F2N5O2 — CID 70978588

IUPAC5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccc(Oc2ncccc2F)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C23H17F2N5O2/c1-13-5-6-15(32-23-18(24)4-3-7-27-23)8-16(13)20-11-29-21(12-28-20)30-22(31)17-9-26-10-19(25)14(17)2/h3-12H,1-2H3,(H,29,30,31)
InChIKeyGVRPMKMPHLFNQQ-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.87
Rot. Bonds5

About 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide

5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (PubChem CID 70978588) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
PubChem CID70978588
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
SMILESCc1ccc(Oc2ncccc2F)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1
InChIInChI=1S/C23H17F2N5O2/c1-13-5-6-15(32-23-18(24)4-3-7-27-23)8-16(13)20-11-29-21(12-28-20)30-22(31)17-9-26-10-19(25)14(17)2/h3-12H,1-2H3,(H,29,30,31)
InChIKeyGVRPMKMPHLFNQQ-UHFFFAOYSA-N
XLogP4.87
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide (CID 70978588) is 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is Cc1ccc(Oc2ncccc2F)cc1-c1cnc(NC(=O)c2cncc(F)c2C)cn1.
What is the InChIKey of 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
The InChIKey is GVRPMKMPHLFNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c1-13-5-6-15(32-23-18(24)4-3-7-27-23)8-16(13)20-11-29-21(12-28-20)30-22(31)17-9-26-10-19(25)14(17)2/h3-12H,1-2H3,(H,29,30,31).
What are the key properties of 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide?
5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-[5-[(3-fluoro-2-pyridinyl)oxy]-2-methylphenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 70978588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).