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

C19H22BrN5O2 — CID 70683152

IUPAC6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C19H22BrN5O2/c1-21-16-15(20)12-22-19-17(16)23-18(24-19)13-2-4-14(5-3-13)27-11-8-25-6-9-26-10-7-25/h2-5,12H,6-11H2,1H3,(H2,21,22,23,24)
InChIKeyRGFQESUIRAABIE-UHFFFAOYSA-N
MW432.32 g/mol
LogP3.14
Rot. Bonds6

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

6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70683152) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70683152
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC Name6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C19H22BrN5O2/c1-21-16-15(20)12-22-19-17(16)23-18(24-19)13-2-4-14(5-3-13)27-11-8-25-6-9-26-10-7-25/h2-5,12H,6-11H2,1H3,(H2,21,22,23,24)
InChIKeyRGFQESUIRAABIE-UHFFFAOYSA-N
XLogP3.14
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 70683152) is 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3ccc(OCCN4CCOCC4)cc3)[nH]c12.
What is the InChIKey of 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is RGFQESUIRAABIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c1-21-16-15(20)12-22-19-17(16)23-18(24-19)13-2-4-14(5-3-13)27-11-8-25-6-9-26-10-7-25/h2-5,12H,6-11H2,1H3,(H2,21,22,23,24).
What are the key properties of 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 432.32 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-2-[4-(2-morpholin-4-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70683152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).