4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid

C20H14N6O2 — CID 59473300

IUPAC4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C20H14N6O2/c27-20(28)12-3-5-15(6-4-12)23-18-19-21-7-8-26(19)11-17(24-18)13-1-2-14-10-22-25-16(14)9-13/h1-11H,(H,22,25)(H,23,24)(H,27,28)
InChIKeySWZMBOLYTLXYDC-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.71
Rot. Bonds4

About 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid

4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid (PubChem CID 59473300) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
PubChem CID59473300
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid
SMILESO=C(O)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1
InChIInChI=1S/C20H14N6O2/c27-20(28)12-3-5-15(6-4-12)23-18-19-21-7-8-26(19)11-17(24-18)13-1-2-14-10-22-25-16(14)9-13/h1-11H,(H,22,25)(H,23,24)(H,27,28)
InChIKeySWZMBOLYTLXYDC-UHFFFAOYSA-N
XLogP3.71
TPSA108.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic 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 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The IUPAC name of 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid (CID 59473300) is 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The canonical SMILES for 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid is O=C(O)c1ccc(Nc2nc(-c3ccc4cn[nH]c4c3)cn3ccnc23)cc1.
What is the InChIKey of 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
The InChIKey is SWZMBOLYTLXYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c27-20(28)12-3-5-15(6-4-12)23-18-19-21-7-8-26(19)11-17(24-18)13-1-2-14-10-22-25-16(14)9-13/h1-11H,(H,22,25)(H,23,24)(H,27,28).
What are the key properties of 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid?
4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid has a molecular weight of 370.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid is sourced from PubChem (CID 59473300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).