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

C20H13FN6O2 — CID 71280438

IUPAC2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(Cc4cccnc4)c4cc(F)ccc34)nc12
InChIInChI=1S/C20H13FN6O2/c21-12-3-4-13-16(6-12)27(10-11-2-1-5-22-7-11)26-17(13)15-9-24-19-18(25-15)14(8-23-19)20(28)29/h1-9H,10H2,(H,23,24)(H,28,29)
InChIKeyNHCZILBGGGCROS-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.26
Rot. Bonds4

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

2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280438) has the molecular formula C20H13FN6O2 and a molecular weight of 388.36 g/mol. Its IUPAC name is 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280438
Molecular FormulaC20H13FN6O2
Molecular Weight388.36 g/mol
Exact Mass388.11
IUPAC Name2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nn(Cc4cccnc4)c4cc(F)ccc34)nc12
InChIInChI=1S/C20H13FN6O2/c21-12-3-4-13-16(6-12)27(10-11-2-1-5-22-7-11)26-17(13)15-9-24-19-18(25-15)14(8-23-19)20(28)29/h1-9H,10H2,(H,23,24)(H,28,29)
InChIKeyNHCZILBGGGCROS-UHFFFAOYSA-N
XLogP3.26
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280438) is 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nn(Cc4cccnc4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is NHCZILBGGGCROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN6O2/c21-12-3-4-13-16(6-12)27(10-11-2-1-5-22-7-11)26-17(13)15-9-24-19-18(25-15)14(8-23-19)20(28)29/h1-9H,10H2,(H,23,24)(H,28,29).
What are the key properties of 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 388.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).