6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine

C17H18BrN5O — CID 70685230

IUPAC6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C17H18BrN5O/c1-19-14-13(18)10-20-17-15(14)21-16(22-17)11-2-4-12(5-3-11)23-6-8-24-9-7-23/h2-5,10H,6-9H2,1H3,(H2,19,20,21,22)
InChIKeySCRGZHVPJJQKLF-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.27
Rot. Bonds3

About 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine

6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70685230) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70685230
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C17H18BrN5O/c1-19-14-13(18)10-20-17-15(14)21-16(22-17)11-2-4-12(5-3-11)23-6-8-24-9-7-23/h2-5,10H,6-9H2,1H3,(H2,19,20,21,22)
InChIKeySCRGZHVPJJQKLF-UHFFFAOYSA-N
XLogP3.27
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 70685230) is 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12.
What is the InChIKey of 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is SCRGZHVPJJQKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-19-14-13(18)10-20-17-15(14)21-16(22-17)11-2-4-12(5-3-11)23-6-8-24-9-7-23/h2-5,10H,6-9H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 388.27 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70685230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).