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

C20H19FN6O3 — CID 71280024

IUPAC2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C20H19FN6O3/c21-12-1-2-13-16(9-12)27(4-3-26-5-7-30-8-6-26)25-17(13)15-11-23-19-18(24-15)14(10-22-19)20(28)29/h1-2,9-11H,3-8H2,(H,22,23)(H,28,29)
InChIKeySIKRYOZJDBLPKU-UHFFFAOYSA-N
MW410.41 g/mol
LogP2.14
Rot. Bonds5

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

2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280024) has the molecular formula C20H19FN6O3 and a molecular weight of 410.41 g/mol. Its IUPAC name is 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280024
Molecular FormulaC20H19FN6O3
Molecular Weight410.41 g/mol
Exact Mass410.15
IUPAC Name2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C20H19FN6O3/c21-12-1-2-13-16(9-12)27(4-3-26-5-7-30-8-6-26)25-17(13)15-11-23-19-18(24-15)14(10-22-19)20(28)29/h1-2,9-11H,3-8H2,(H,22,23)(H,28,29)
InChIKeySIKRYOZJDBLPKU-UHFFFAOYSA-N
XLogP2.14
TPSA109.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280024) is 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is SIKRYOZJDBLPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O3/c21-12-1-2-13-16(9-12)27(4-3-26-5-7-30-8-6-26)25-17(13)15-11-23-19-18(24-15)14(10-22-19)20(28)29/h1-2,9-11H,3-8H2,(H,22,23)(H,28,29).
What are the key properties of 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 410.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).