4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

C19H15BrN4O — CID 135620686

IUPAC4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2cnccn12
InChIInChI=1S/C19H15BrN4O/c1-12-4-2-3-5-15(12)22-19-18(14-10-13(20)6-7-16(14)25)23-17-11-21-8-9-24(17)19/h2-11,22,25H,1H3
InChIKeyGSVMGBNZLNEOSE-UHFFFAOYSA-N
MW395.26 g/mol
LogP4.92
Rot. Bonds3

About 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol

4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (PubChem CID 135620686) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
PubChem CID135620686
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
SMILESCc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2cnccn12
InChIInChI=1S/C19H15BrN4O/c1-12-4-2-3-5-15(12)22-19-18(14-10-13(20)6-7-16(14)25)23-17-11-21-8-9-24(17)19/h2-11,22,25H,1H3
InChIKeyGSVMGBNZLNEOSE-UHFFFAOYSA-N
XLogP4.92
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The IUPAC name of 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol (CID 135620686) is 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is Cc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2cnccn12.
What is the InChIKey of 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
The InChIKey is GSVMGBNZLNEOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-12-4-2-3-5-15(12)22-19-18(14-10-13(20)6-7-16(14)25)23-17-11-21-8-9-24(17)19/h2-11,22,25H,1H3.
What are the key properties of 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol?
4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol has a molecular weight of 395.26 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[3-(2-methylanilino)imidazo[1,2-a]pyrazin-2-yl]phenol is sourced from PubChem (CID 135620686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).