2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H21FN6O2 — CID 71283702

IUPAC2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CCO)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4cc(CF)ccc34)nc12
InChIInChI=1S/C20H21FN6O2/c1-20(2,5-6-28)25-19(29)13-9-22-18-17(13)24-15(10-23-18)16-12-4-3-11(8-21)7-14(12)26-27-16/h3-4,7,9-10,28H,5-6,8H2,1-2H3,(H,22,23)(H,25,29)(H,26,27)
InChIKeyYQLQRUVYYZSJND-UHFFFAOYSA-N
MW396.43 g/mol
LogP2.86
Rot. Bonds6

About 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71283702) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71283702
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(CCO)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4cc(CF)ccc34)nc12
InChIInChI=1S/C20H21FN6O2/c1-20(2,5-6-28)25-19(29)13-9-22-18-17(13)24-15(10-23-18)16-12-4-3-11(8-21)7-14(12)26-27-16/h3-4,7,9-10,28H,5-6,8H2,1-2H3,(H,22,23)(H,25,29)(H,26,27)
InChIKeyYQLQRUVYYZSJND-UHFFFAOYSA-N
XLogP2.86
TPSA119.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71459043
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CID 71279423
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Frequently Asked Questions

What is the IUPAC name of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71283702) is 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(CCO)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4cc(CF)ccc34)nc12.
What is the InChIKey of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YQLQRUVYYZSJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-20(2,5-6-28)25-19(29)13-9-22-18-17(13)24-15(10-23-18)16-12-4-3-11(8-21)7-14(12)26-27-16/h3-4,7,9-10,28H,5-6,8H2,1-2H3,(H,22,23)(H,25,29)(H,26,27).
What are the key properties of 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71283702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).