6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C22H21BrN4 — CID 15989669

IUPAC6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccccc1Nc1c(-c2cccc(N(C)C)c2)nc2ccc(Br)cn12
InChIInChI=1S/C22H21BrN4/c1-15-7-4-5-10-19(15)24-22-21(16-8-6-9-18(13-16)26(2)3)25-20-12-11-17(23)14-27(20)22/h4-14,24H,1-3H3
InChIKeyPUPGMYCCRIJNRZ-UHFFFAOYSA-N
MW421.34 g/mol
LogP5.88
Rot. Bonds4

About 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 15989669) has the molecular formula C22H21BrN4 and a molecular weight of 421.34 g/mol. Its IUPAC name is 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID15989669
Molecular FormulaC22H21BrN4
Molecular Weight421.34 g/mol
Exact Mass420.09
IUPAC Name6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccccc1Nc1c(-c2cccc(N(C)C)c2)nc2ccc(Br)cn12
InChIInChI=1S/C22H21BrN4/c1-15-7-4-5-10-19(15)24-22-21(16-8-6-9-18(13-16)26(2)3)25-20-12-11-17(23)14-27(20)22/h4-14,24H,1-3H3
InChIKeyPUPGMYCCRIJNRZ-UHFFFAOYSA-N
XLogP5.88
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.34
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 15989669) is 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccccc1Nc1c(-c2cccc(N(C)C)c2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is PUPGMYCCRIJNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN4/c1-15-7-4-5-10-19(15)24-22-21(16-8-6-9-18(13-16)26(2)3)25-20-12-11-17(23)14-27(20)22/h4-14,24H,1-3H3.
What are the key properties of 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 421.34 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[3-(dimethylamino)phenyl]-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 15989669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).