5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid

C21H19FN4O4 — CID 11429764

IUPAC5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N(c1cccc(F)c1)c1cncc(-c2cncc(C(=O)O)c2)n1
InChIInChI=1S/C21H19FN4O4/c1-21(2,3)30-20(29)26(16-6-4-5-15(22)8-16)18-12-24-11-17(25-18)13-7-14(19(27)28)10-23-9-13/h4-12H,1-3H3,(H,27,28)
InChIKeyBGJDLKJYMIHGLT-UHFFFAOYSA-N
MW410.41 g/mol
LogP4.45
Rot. Bonds4

About 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid

5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid (PubChem CID 11429764) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid
PubChem CID11429764
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC Name5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCC(C)(C)OC(=O)N(c1cccc(F)c1)c1cncc(-c2cncc(C(=O)O)c2)n1
InChIInChI=1S/C21H19FN4O4/c1-21(2,3)30-20(29)26(16-6-4-5-15(22)8-16)18-12-24-11-17(25-18)13-7-14(19(27)28)10-23-9-13/h4-12H,1-3H3,(H,27,28)
InChIKeyBGJDLKJYMIHGLT-UHFFFAOYSA-N
XLogP4.45
TPSA105.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-Ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene-13-carboxylic acid
CID 470715
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6-(Ethyl(8-ethyl-7-oxo-5-(trifluoromethyl)-7,8-dihydro-1,8-naphthyridin-2-yl)amino)nicotinic acid
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6-(Ethyl(8-methyl-7-oxo-5-(trifluoromethyl)-7,8-dihydro-1,8-naphthyridin-2-yl)amino)nicotinic acid
CID 49865445
6-(Ethyl(1-isobutyl-2-oxo-4-(trifluoromethyl)-1,2-dihydroquinolin-7-yl)amino)nicotinic acid
CID 49865446
4-(5-Allyl-6-methyl-2-(pyrazin-2-yl)pyrimidin-4-ylamino)benzoic acid
CID 54581119
6-[4-(4-Propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
CID 71522268
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CID 90407151
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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid (CID 11429764) is 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid is CC(C)(C)OC(=O)N(c1cccc(F)c1)c1cncc(-c2cncc(C(=O)O)c2)n1.
What is the InChIKey of 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is BGJDLKJYMIHGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-21(2,3)30-20(29)26(16-6-4-5-15(22)8-16)18-12-24-11-17(25-18)13-7-14(19(27)28)10-23-9-13/h4-12H,1-3H3,(H,27,28).
What are the key properties of 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid?
5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 410.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-fluoro-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]pyrazin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 11429764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).