5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine

C14H19BrN4 — CID 175899878

IUPAC5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine
SMILESCC1CCC(CNc2nc3nc(Br)ccc3[nH]2)CC1
InChIInChI=1S/C14H19BrN4/c1-9-2-4-10(5-3-9)8-16-14-17-11-6-7-12(15)18-13(11)19-14/h6-7,9-10H,2-5,8H2,1H3,(H2,16,17,18,19)
InChIKeyAOHCORYYURIRDA-UHFFFAOYSA-N
MW323.24 g/mol
LogP3.96
Rot. Bonds3

About 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine

5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine (PubChem CID 175899878) has the molecular formula C14H19BrN4 and a molecular weight of 323.24 g/mol. Its IUPAC name is 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine
PubChem CID175899878
Molecular FormulaC14H19BrN4
Molecular Weight323.24 g/mol
Exact Mass322.08
IUPAC Name5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine
SMILESCC1CCC(CNc2nc3nc(Br)ccc3[nH]2)CC1
InChIInChI=1S/C14H19BrN4/c1-9-2-4-10(5-3-9)8-16-14-17-11-6-7-12(15)18-13(11)19-14/h6-7,9-10H,2-5,8H2,1H3,(H2,16,17,18,19)
InChIKeyAOHCORYYURIRDA-UHFFFAOYSA-N
XLogP3.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine (CID 175899878) is 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine is CC1CCC(CNc2nc3nc(Br)ccc3[nH]2)CC1.
What is the InChIKey of 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine?
The InChIKey is AOHCORYYURIRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4/c1-9-2-4-10(5-3-9)8-16-14-17-11-6-7-12(15)18-13(11)19-14/h6-7,9-10H,2-5,8H2,1H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine?
5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine has a molecular weight of 323.24 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-methylcyclohexyl)methyl]-1H-imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 175899878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).