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

C25H33BrN6O — CID 70689443

IUPAC6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCC1CCNCC1
InChIInChI=1S/C25H33BrN6O/c26-21-17-29-25-23(22(21)28-16-18-8-10-27-11-9-18)30-24(31-25)19-4-6-20(7-5-19)33-15-14-32-12-2-1-3-13-32/h4-7,17-18,27H,1-3,8-16H2,(H2,28,29,30,31)
InChIKeyBRHAIUXYHUZNFP-UHFFFAOYSA-N
MW513.48 g/mol
LogP4.66
Rot. Bonds8

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

6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70689443) has the molecular formula C25H33BrN6O and a molecular weight of 513.48 g/mol. Its IUPAC name is 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70689443
Molecular FormulaC25H33BrN6O
Molecular Weight513.48 g/mol
Exact Mass512.19
IUPAC Name6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCC1CCNCC1
InChIInChI=1S/C25H33BrN6O/c26-21-17-29-25-23(22(21)28-16-18-8-10-27-11-9-18)30-24(31-25)19-4-6-20(7-5-19)33-15-14-32-12-2-1-3-13-32/h4-7,17-18,27H,1-3,8-16H2,(H2,28,29,30,31)
InChIKeyBRHAIUXYHUZNFP-UHFFFAOYSA-N
XLogP4.66
TPSA78.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.48
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 70689443) is 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is Brc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCC1CCNCC1.
What is the InChIKey of 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is BRHAIUXYHUZNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33BrN6O/c26-21-17-29-25-23(22(21)28-16-18-8-10-27-11-9-18)30-24(31-25)19-4-6-20(7-5-19)33-15-14-32-12-2-1-3-13-32/h4-7,17-18,27H,1-3,8-16H2,(H2,28,29,30,31).
What are the key properties of 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 513.48 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70689443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).