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

C22H22BrN7O — CID 46866785

IUPAC6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cncnc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C22H22BrN7O/c1-31-17-4-2-16(3-5-17)21-27-19-20(18(23)12-26-22(19)28-21)30-8-6-29(7-9-30)13-15-10-24-14-25-11-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,26,27,28)
InChIKeyHOYPBPPHZUIAPR-UHFFFAOYSA-N
MW480.37 g/mol
LogP3.51
Rot. Bonds5

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

6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 46866785) has the molecular formula C22H22BrN7O and a molecular weight of 480.37 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID46866785
Molecular FormulaC22H22BrN7O
Molecular Weight480.37 g/mol
Exact Mass479.11
IUPAC Name6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cncnc5)CC4)c3[nH]2)cc1
InChIInChI=1S/C22H22BrN7O/c1-31-17-4-2-16(3-5-17)21-27-19-20(18(23)12-26-22(19)28-21)30-8-6-29(7-9-30)13-15-10-24-14-25-11-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,26,27,28)
InChIKeyHOYPBPPHZUIAPR-UHFFFAOYSA-N
XLogP3.51
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine (CID 46866785) is 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5cncnc5)CC4)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is HOYPBPPHZUIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN7O/c1-31-17-4-2-16(3-5-17)21-27-19-20(18(23)12-26-22(19)28-21)30-8-6-29(7-9-30)13-15-10-24-14-25-11-15/h2-5,10-12,14H,6-9,13H2,1H3,(H,26,27,28).
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 480.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-7-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 46866785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).