3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

C21H20N4O — CID 7337977

IUPAC3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnccn12
InChIInChI=1S/C21H20N4O/c1-3-15-7-4-6-14(2)19(15)24-21-20(16-8-5-9-17(26)12-16)23-18-13-22-10-11-25(18)21/h4-13,24,26H,3H2,1-2H3
InChIKeyCODMSXYOMPDDMC-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.72
Rot. Bonds4

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

3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 7337977) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID7337977
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnccn12
InChIInChI=1S/C21H20N4O/c1-3-15-7-4-6-14(2)19(15)24-21-20(16-8-5-9-17(26)12-16)23-18-13-22-10-11-25(18)21/h4-13,24,26H,3H2,1-2H3
InChIKeyCODMSXYOMPDDMC-UHFFFAOYSA-N
XLogP4.72
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Sb-202190
CID 5169
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
RP107
CID 448912
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
4-{5H-pyrrolo[2,3-b]pyrazin-6-yl}phenol
CID 135433406
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 28
CID 135434952
4-(Imidazo[1,2-a]pyridin-2-yl)benzene-1,2-diol
CID 764266
Coelenterazine
CID 135445694
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
3-{[2-(1H-Benzimidazol-1-YL)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-YL]amino}-4-methylphenol
CID 9547983

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 7337977) is 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is CCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnccn12.
What is the InChIKey of 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is CODMSXYOMPDDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-15-7-4-6-14(2)19(15)24-21-20(16-8-5-9-17(26)12-16)23-18-13-22-10-11-25(18)21/h4-13,24,26H,3H2,1-2H3.
What are the key properties of 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 344.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethyl-6-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 7337977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).