3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid

C20H14N6O2 — CID 10292557

IUPAC3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc4cn[nH]c4c3)n2)c1
InChIInChI=1S/C20H14N6O2/c27-20(28)13-3-1-2-12(8-13)17-11-26-7-6-21-19(26)18(24-17)23-15-5-4-14-10-22-25-16(14)9-15/h1-11H,(H,22,25)(H,23,24)(H,27,28)
InChIKeyLFNVCNQPWUOJHD-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.71
Rot. Bonds4

About 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid

3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid (PubChem CID 10292557) has the molecular formula C20H14N6O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid.

Molecular Properties

Compound Name3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
PubChem CID10292557
Molecular FormulaC20H14N6O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid
SMILESO=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc4cn[nH]c4c3)n2)c1
InChIInChI=1S/C20H14N6O2/c27-20(28)13-3-1-2-12(8-13)17-11-26-7-6-21-19(26)18(24-17)23-15-5-4-14-10-22-25-16(14)9-15/h1-11H,(H,22,25)(H,23,24)(H,27,28)
InChIKeyLFNVCNQPWUOJHD-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

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Related Compounds

2-Methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037366
4-[[8-[1-(2-Methylpropyl)-1H-pyrazol-4-yl][1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198979
4-[[8-(1-Propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59198994
4-[[8-(1-Cyclohexylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199165
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
4-Cyclohexyl-2-methylpyrazolo[3,4-b]indole-7-carboxylic acid
CID 168279014
2-((2-((1H-Indazol-6-yl)amino)pyrimidin-4-yl)amino)benzoic acid
CID 23647264
2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647265
4-[1-[3-(1-piperidyl)propyl]-2-[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]benzimidazol-5-yl]benzoic acid
CID 71463558
4-{6-[6-(propan-2-ylamino)-1H-indazol-1-yl]pyrazin-2-yl}benzoic acid
CID 132471857
SSTR3 Antagonist 3A
CID 86279005
5-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyridine-3-carboxylic acid
CID 118710534

Frequently Asked Questions

What is the IUPAC name of 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The IUPAC name of 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid (CID 10292557) is 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid.
What is the SMILES notation for 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The canonical SMILES for 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid is O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc4cn[nH]c4c3)n2)c1.
What is the InChIKey of 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
The InChIKey is LFNVCNQPWUOJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2/c27-20(28)13-3-1-2-12(8-13)17-11-26-7-6-21-19(26)18(24-17)23-15-5-4-14-10-22-25-16(14)9-15/h1-11H,(H,22,25)(H,23,24)(H,27,28).
What are the key properties of 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid?
3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]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 3-[8-(1H-indazol-6-ylamino)imidazo[1,2-a]pyrazin-6-yl]benzoic acid is sourced from PubChem (CID 10292557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).