6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

C23H23BrN6O — CID 46866784

IUPAC6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C23H23BrN6O/c1-31-18-6-4-17(5-7-18)22-27-20-21(19(24)14-26-23(20)28-22)30-11-9-29(10-12-30)15-16-3-2-8-25-13-16/h2-8,13-14H,9-12,15H2,1H3,(H,26,27,28)
InChIKeyDDKFQQFHOJBBBE-UHFFFAOYSA-N
MW479.38 g/mol
LogP4.11
Rot. Bonds5

About 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 46866784) has the molecular formula C23H23BrN6O and a molecular weight of 479.38 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID46866784
Molecular FormulaC23H23BrN6O
Molecular Weight479.38 g/mol
Exact Mass478.11
IUPAC Name6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C23H23BrN6O/c1-31-18-6-4-17(5-7-18)22-27-20-21(19(24)14-26-23(20)28-22)30-11-9-29(10-12-30)15-16-3-2-8-25-13-16/h2-8,13-14H,9-12,15H2,1H3,(H,26,27,28)
InChIKeyDDKFQQFHOJBBBE-UHFFFAOYSA-N
XLogP4.11
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 46866784) is 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cccnc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is DDKFQQFHOJBBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN6O/c1-31-18-6-4-17(5-7-18)22-27-20-21(19(24)14-26-23(20)28-22)30-11-9-29(10-12-30)15-16-3-2-8-25-13-16/h2-8,13-14H,9-12,15H2,1H3,(H,26,27,28).
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 479.38 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 46866784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).