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

C24H30BrN5O — CID 70695751

IUPAC6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NC1CCCC1
InChIInChI=1S/C24H30BrN5O/c25-20-16-26-24-22(21(20)27-18-6-2-3-7-18)28-23(29-24)17-8-10-19(11-9-17)31-15-14-30-12-4-1-5-13-30/h8-11,16,18H,1-7,12-15H2,(H2,26,27,28,29)
InChIKeyBYBRKTGRHXTQLX-UHFFFAOYSA-N
MW484.44 g/mol
LogP5.61
Rot. Bonds7

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

6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70695751) has the molecular formula C24H30BrN5O and a molecular weight of 484.44 g/mol. Its IUPAC name is 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70695751
Molecular FormulaC24H30BrN5O
Molecular Weight484.44 g/mol
Exact Mass483.16
IUPAC Name6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NC1CCCC1
InChIInChI=1S/C24H30BrN5O/c25-20-16-26-24-22(21(20)27-18-6-2-3-7-18)28-23(29-24)17-8-10-19(11-9-17)31-15-14-30-12-4-1-5-13-30/h8-11,16,18H,1-7,12-15H2,(H2,26,27,28,29)
InChIKeyBYBRKTGRHXTQLX-UHFFFAOYSA-N
XLogP5.61
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.44
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine (CID 70695751) is 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is Brc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NC1CCCC1.
What is the InChIKey of 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is BYBRKTGRHXTQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrN5O/c25-20-16-26-24-22(21(20)27-18-6-2-3-7-18)28-23(29-24)17-8-10-19(11-9-17)31-15-14-30-12-4-1-5-13-30/h8-11,16,18H,1-7,12-15H2,(H2,26,27,28,29).
What are the key properties of 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 484.44 g/mol, XLogP of 5.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70695751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).