6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine

C14H19BrN4 — CID 79302440

IUPAC6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC1(C)CCC(n2c(N)nc3cc(Br)cnc32)CC1
InChIInChI=1S/C14H19BrN4/c1-14(2)5-3-10(4-6-14)19-12-11(18-13(19)16)7-9(15)8-17-12/h7-8,10H,3-6H2,1-2H3,(H2,16,18)
InChIKeyQIBAUPCOKPYPNY-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.92
Rot. Bonds1

About 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79302440) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79302440
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC1(C)CCC(n2c(N)nc3cc(Br)cnc32)CC1
InChIInChI=1S/C14H19BrN4/c1-14(2)5-3-10(4-6-14)19-12-11(18-13(19)16)7-9(15)8-17-12/h7-8,10H,3-6H2,1-2H3,(H2,16,18)
InChIKeyQIBAUPCOKPYPNY-UHFFFAOYSA-N
XLogP3.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine (CID 79302440) is 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine is CC1(C)CCC(n2c(N)nc3cc(Br)cnc32)CC1.
What is the InChIKey of 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is QIBAUPCOKPYPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-14(2)5-3-10(4-6-14)19-12-11(18-13(19)16)7-9(15)8-17-12/h7-8,10H,3-6H2,1-2H3,(H2,16,18).
What are the key properties of 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 323.24 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4,4-dimethylcyclohexyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79302440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).