6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine

C23H27BrN4O — CID 57398407

IUPAC6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C23H27BrN4O/c24-18-8-11-21-26-22(23(28(21)16-18)25-19-4-2-1-3-5-19)17-6-9-20(10-7-17)27-12-14-29-15-13-27/h6-11,16,19,25H,1-5,12-15H2
InChIKeyFSEIQOBMIQHBFY-UHFFFAOYSA-N
MW455.40 g/mol
LogP5.34
Rot. Bonds4

About 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine

6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 57398407) has the molecular formula C23H27BrN4O and a molecular weight of 455.40 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID57398407
Molecular FormulaC23H27BrN4O
Molecular Weight455.40 g/mol
Exact Mass454.14
IUPAC Name6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C23H27BrN4O/c24-18-8-11-21-26-22(23(28(21)16-18)25-19-4-2-1-3-5-19)17-6-9-20(10-7-17)27-12-14-29-15-13-27/h6-11,16,19,25H,1-5,12-15H2
InChIKeyFSEIQOBMIQHBFY-UHFFFAOYSA-N
XLogP5.34
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 57398407) is 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine is Brc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1.
What is the InChIKey of 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is FSEIQOBMIQHBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4O/c24-18-8-11-21-26-22(23(28(21)16-18)25-19-4-2-1-3-5-19)17-6-9-20(10-7-17)27-12-14-29-15-13-27/h6-11,16,19,25H,1-5,12-15H2.
What are the key properties of 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 455.40 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclohexyl-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 57398407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).