2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C14H7ClFN5O2 — CID 71280025

IUPAC2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nc(Cl)n4cc(F)ccc34)nc12
InChIInChI=1S/C14H7ClFN5O2/c15-14-20-11(9-2-1-6(16)5-21(9)14)8-4-18-12-10(19-8)7(3-17-12)13(22)23/h1-5H,(H,17,18)(H,22,23)
InChIKeyQHTNMPMKWONPMR-UHFFFAOYSA-N
MW331.69 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280025) has the molecular formula C14H7ClFN5O2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280025
Molecular FormulaC14H7ClFN5O2
Molecular Weight331.69 g/mol
Exact Mass331.03
IUPAC Name2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESO=C(O)c1c[nH]c2ncc(-c3nc(Cl)n4cc(F)ccc34)nc12
InChIInChI=1S/C14H7ClFN5O2/c15-14-20-11(9-2-1-6(16)5-21(9)14)8-4-18-12-10(19-8)7(3-17-12)13(22)23/h1-5H,(H,17,18)(H,22,23)
InChIKeyQHTNMPMKWONPMR-UHFFFAOYSA-N
XLogP2.76
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280025) is 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is O=C(O)c1c[nH]c2ncc(-c3nc(Cl)n4cc(F)ccc34)nc12.
What is the InChIKey of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is QHTNMPMKWONPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClFN5O2/c15-14-20-11(9-2-1-6(16)5-21(9)14)8-4-18-12-10(19-8)7(3-17-12)13(22)23/h1-5H,(H,17,18)(H,22,23).
What are the key properties of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 331.69 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).