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

C26H35BrN6O — CID 70683150

IUPAC6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCCC1CCNCC1
InChIInChI=1S/C26H35BrN6O/c27-22-18-30-26-24(23(22)29-13-10-19-8-11-28-12-9-19)31-25(32-26)20-4-6-21(7-5-20)34-17-16-33-14-2-1-3-15-33/h4-7,18-19,28H,1-3,8-17H2,(H2,29,30,31,32)
InChIKeyPBIZHXWVUCRCKS-UHFFFAOYSA-N
MW527.51 g/mol
LogP5.05
Rot. Bonds9

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

6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine (PubChem CID 70683150) has the molecular formula C26H35BrN6O and a molecular weight of 527.51 g/mol. Its IUPAC name is 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
PubChem CID70683150
Molecular FormulaC26H35BrN6O
Molecular Weight527.51 g/mol
Exact Mass526.21
IUPAC Name6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine
SMILESBrc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCCC1CCNCC1
InChIInChI=1S/C26H35BrN6O/c27-22-18-30-26-24(23(22)29-13-10-19-8-11-28-12-9-19)31-25(32-26)20-4-6-21(7-5-20)34-17-16-33-14-2-1-3-15-33/h4-7,18-19,28H,1-3,8-17H2,(H2,29,30,31,32)
InChIKeyPBIZHXWVUCRCKS-UHFFFAOYSA-N
XLogP5.05
TPSA78.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.51
LogP ≤ 55.05
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-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine (CID 70683150) is 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine is Brc1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCCC1CCNCC1.
What is the InChIKey of 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
The InChIKey is PBIZHXWVUCRCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35BrN6O/c27-22-18-30-26-24(23(22)29-13-10-19-8-11-28-12-9-19)31-25(32-26)20-4-6-21(7-5-20)34-17-16-33-14-2-1-3-15-33/h4-7,18-19,28H,1-3,8-17H2,(H2,29,30,31,32).
What are the key properties of 6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine?
6-bromo-2-[4-(2-piperidin-1-ylethoxy)phenyl]-N-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine has a molecular weight of 527.51 g/mol, XLogP of 5.05, 9 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-(2-piperidin-4-ylethyl)-1H-imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 70683150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).