2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C19H17FN6O2 — CID 71279803

IUPAC2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(C4CCNCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H17FN6O2/c20-10-1-2-12-15(7-10)26(11-3-5-21-6-4-11)25-16(12)14-9-23-18-17(24-14)13(8-22-18)19(27)28/h1-2,7-9,11,21H,3-6H2,(H,22,23)(H,27,28)
InChIKeyZLVFSIJNASYFLG-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.74
Rot. Bonds3

About 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279803) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279803
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(C4CCNCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H17FN6O2/c20-10-1-2-12-15(7-10)26(11-3-5-21-6-4-11)25-16(12)14-9-23-18-17(24-14)13(8-22-18)19(27)28/h1-2,7-9,11,21H,3-6H2,(H,22,23)(H,27,28)
InChIKeyZLVFSIJNASYFLG-UHFFFAOYSA-N
XLogP2.74
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279803) is 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nn(C4CCNCC4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is ZLVFSIJNASYFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c20-10-1-2-12-15(7-10)26(11-3-5-21-6-4-11)25-16(12)14-9-23-18-17(24-14)13(8-22-18)19(27)28/h1-2,7-9,11,21H,3-6H2,(H,22,23)(H,27,28).
What are the key properties of 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 380.38 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).