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

C20H24BrN5O — CID 70681026

IUPAC6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c12
InChIInChI=1S/C20H24BrN5O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-5-7-15(8-6-14)27-12-11-26-9-3-2-4-10-26/h5-8,13H,2-4,9-12H2,1H3,(H2,22,23,24,25)
InChIKeyFEPKNBFNXRIIAB-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.29
Rot. Bonds6

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

6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70681026) has the molecular formula C20H24BrN5O and a molecular weight of 430.35 g/mol. Its IUPAC name is 6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70681026
Molecular FormulaC20H24BrN5O
Molecular Weight430.35 g/mol
Exact Mass429.12
IUPAC Name6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESCNc1c(Br)cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c12
InChIInChI=1S/C20H24BrN5O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-5-7-15(8-6-14)27-12-11-26-9-3-2-4-10-26/h5-8,13H,2-4,9-12H2,1H3,(H2,22,23,24,25)
InChIKeyFEPKNBFNXRIIAB-UHFFFAOYSA-N
XLogP4.29
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 70681026) is 6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is CNc1c(Br)cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c12.
What is the InChIKey of 6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is FEPKNBFNXRIIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O/c1-22-17-16(21)13-23-20-18(17)24-19(25-20)14-5-7-15(8-6-14)27-12-11-26-9-3-2-4-10-26/h5-8,13H,2-4,9-12H2,1H3,(H2,22,23,24,25).
What are the key properties of 6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 430.35 g/mol, XLogP of 4.29, 6 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-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70681026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).