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

C19H14FN7O2 — CID 71279308

IUPAC2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(CCn4cccn4)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H14FN7O2/c20-11-2-3-12-15(8-11)27(7-6-26-5-1-4-23-26)25-16(12)14-10-22-18-17(24-14)13(9-21-18)19(28)29/h1-5,8-10H,6-7H2,(H,21,22)(H,28,29)
InChIKeyPEPTYCVKJHNWOU-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.71
Rot. Bonds5

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

2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279308) has the molecular formula C19H14FN7O2 and a molecular weight of 391.37 g/mol. Its IUPAC name is 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279308
Molecular FormulaC19H14FN7O2
Molecular Weight391.37 g/mol
Exact Mass391.12
IUPAC Name2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(CCn4cccn4)c4cc(F)ccc34)nc12
InChIInChI=1S/C19H14FN7O2/c20-11-2-3-12-15(8-11)27(7-6-26-5-1-4-23-26)25-16(12)14-10-22-18-17(24-14)13(9-21-18)19(28)29/h1-5,8-10H,6-7H2,(H,21,22)(H,28,29)
InChIKeyPEPTYCVKJHNWOU-UHFFFAOYSA-N
XLogP2.71
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279308) is 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nn(CCn4cccn4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is PEPTYCVKJHNWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O2/c20-11-2-3-12-15(8-11)27(7-6-26-5-1-4-23-26)25-16(12)14-10-22-18-17(24-14)13(9-21-18)19(28)29/h1-5,8-10H,6-7H2,(H,21,22)(H,28,29).
What are the key properties of 2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 391.37 g/mol, XLogP of 2.71, 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-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).