6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine

C17H20BrN5 — CID 155528689

IUPAC6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ncc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)[nH]1
InChIInChI=1S/C17H20BrN5/c1-11-19-9-14(20-11)16-17(21-13-5-3-2-4-6-13)23-10-12(18)7-8-15(23)22-16/h7-10,13,21H,2-6H2,1H3,(H,19,20)
InChIKeyOASUKCFEBKAFRN-UHFFFAOYSA-N
MW374.29 g/mol
LogP4.54
Rot. Bonds3

About 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine

6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 155528689) has the molecular formula C17H20BrN5 and a molecular weight of 374.29 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID155528689
Molecular FormulaC17H20BrN5
Molecular Weight374.29 g/mol
Exact Mass373.09
IUPAC Name6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ncc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)[nH]1
InChIInChI=1S/C17H20BrN5/c1-11-19-9-14(20-11)16-17(21-13-5-3-2-4-6-13)23-10-12(18)7-8-15(23)22-16/h7-10,13,21H,2-6H2,1H3,(H,19,20)
InChIKeyOASUKCFEBKAFRN-UHFFFAOYSA-N
XLogP4.54
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine (CID 155528689) is 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ncc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)[nH]1.
What is the InChIKey of 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is OASUKCFEBKAFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5/c1-11-19-9-14(20-11)16-17(21-13-5-3-2-4-6-13)23-10-12(18)7-8-15(23)22-16/h7-10,13,21H,2-6H2,1H3,(H,19,20).
What are the key properties of 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 374.29 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclohexyl-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 155528689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).