3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine

C14H20N4 — CID 79288453

IUPAC3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2C1CCCCCC1
InChIInChI=1S/C14H20N4/c1-10-8-9-16-13-12(10)17-14(15)18(13)11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H2,15,17)
InChIKeyHAKPXCNTJVUYLG-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.22
Rot. Bonds1

About 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine

3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79288453) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79288453
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2C1CCCCCC1
InChIInChI=1S/C14H20N4/c1-10-8-9-16-13-12(10)17-14(15)18(13)11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H2,15,17)
InChIKeyHAKPXCNTJVUYLG-UHFFFAOYSA-N
XLogP3.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine (CID 79288453) is 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is HAKPXCNTJVUYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-8-9-16-13-12(10)17-14(15)18(13)11-6-4-2-3-5-7-11/h8-9,11H,2-7H2,1H3,(H2,15,17).
What are the key properties of 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine?
3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 244.34 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79288453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).