3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

C21H16N4O — CID 155549563

IUPAC3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCn1ccc2cc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)ccc21
InChIInChI=1S/C21H16N4O/c1-24-8-7-16-9-14(5-6-19(16)24)18-13-25-20(11-23-21(25)12-22-18)15-3-2-4-17(26)10-15/h2-13,26H,1H3
InChIKeyUCJSJQHQQLXGLT-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.26
Rot. Bonds2

About 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol

3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 155549563) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID155549563
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCn1ccc2cc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)ccc21
InChIInChI=1S/C21H16N4O/c1-24-8-7-16-9-14(5-6-19(16)24)18-13-25-20(11-23-21(25)12-22-18)15-3-2-4-17(26)10-15/h2-13,26H,1H3
InChIKeyUCJSJQHQQLXGLT-UHFFFAOYSA-N
XLogP4.26
TPSA55.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

11-Butyl-2-methyl-3-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ol
CID 9803626
AP-23464
CID 9934643
6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5,6-dimethyl-
CID 3068872
6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(ethylamino)propyl)amino)-5,6,11-trimethyl-
CID 3068874
6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(dimethylamino)propyl)amino)-5,6,11-trimethyl-
CID 3068875
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
3-[4-Amino-7-[2-[2-(dimethylamino)ethyl]phenyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenol
CID 44565877
3-[3-(Quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenol
CID 127046394
4-[4-phenyl-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazol-2-yl]phenol
CID 137638482
2-{3-[(2,6-Dimethylphenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 15990343
1-[2-(Diethylamino)ethylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
CID 183296
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol (CID 155549563) is 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is Cn1ccc2cc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)ccc21.
What is the InChIKey of 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is UCJSJQHQQLXGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-24-8-7-16-9-14(5-6-19(16)24)18-13-25-20(11-23-21(25)12-22-18)15-3-2-4-17(26)10-15/h2-13,26H,1H3.
What are the key properties of 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol?
3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 340.39 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 155549563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).