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

C18H15FN6O2 — CID 141365158

IUPAC2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(C4CCNC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C18H15FN6O2/c19-9-1-2-11-14(5-9)25(10-3-4-20-6-10)24-15(11)13-8-22-17-16(23-13)12(7-21-17)18(26)27/h1-2,5,7-8,10,20H,3-4,6H2,(H,21,22)(H,26,27)
InChIKeyWVBOVFNIWBQWFW-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.35
Rot. Bonds3

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

2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 141365158) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID141365158
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(C4CCNC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C18H15FN6O2/c19-9-1-2-11-14(5-9)25(10-3-4-20-6-10)24-15(11)13-8-22-17-16(23-13)12(7-21-17)18(26)27/h1-2,5,7-8,10,20H,3-4,6H2,(H,21,22)(H,26,27)
InChIKeyWVBOVFNIWBQWFW-UHFFFAOYSA-N
XLogP2.35
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.35
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-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 141365158) is 2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nn(C4CCNC4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is WVBOVFNIWBQWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c19-9-1-2-11-14(5-9)25(10-3-4-20-6-10)24-15(11)13-8-22-17-16(23-13)12(7-21-17)18(26)27/h1-2,5,7-8,10,20H,3-4,6H2,(H,21,22)(H,26,27).
What are the key properties of 2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(6-fluoro-1-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 366.36 g/mol, XLogP of 2.35, 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-pyrrolidin-3-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 141365158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).