4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid

C22H20N6O2 — CID 10294415

IUPAC4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cn3ccnc3c(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C22H20N6O2/c29-22(30)17-6-4-16(5-7-17)18-15-28-10-9-24-20(28)21(25-18)27-13-11-26(12-14-27)19-3-1-2-8-23-19/h1-10,15H,11-14H2,(H,29,30)
InChIKeySGZJDMUZHQWCPK-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.82
Rot. Bonds4

About 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid

4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid (PubChem CID 10294415) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid.

Molecular Properties

Compound Name4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
PubChem CID10294415
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cn3ccnc3c(N3CCN(c4ccccn4)CC3)n2)cc1
InChIInChI=1S/C22H20N6O2/c29-22(30)17-6-4-16(5-7-17)18-15-28-10-9-24-20(28)21(25-18)27-13-11-26(12-14-27)19-3-1-2-8-23-19/h1-10,15H,11-14H2,(H,29,30)
InChIKeySGZJDMUZHQWCPK-UHFFFAOYSA-N
XLogP2.82
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The IUPAC name of 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid (CID 10294415) is 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid.
What is the SMILES notation for 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The canonical SMILES for 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid is O=C(O)c1ccc(-c2cn3ccnc3c(N3CCN(c4ccccn4)CC3)n2)cc1.
What is the InChIKey of 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The InChIKey is SGZJDMUZHQWCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-22(30)17-6-4-16(5-7-17)18-15-28-10-9-24-20(28)21(25-18)27-13-11-26(12-14-27)19-3-1-2-8-23-19/h1-10,15H,11-14H2,(H,29,30).
What are the key properties of 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid has a molecular weight of 400.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-a]pyrazin-6-yl]benzoic acid is sourced from PubChem (CID 10294415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).