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

C21H24BrN5O — CID 46866787

IUPAC6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(CC5CC5)CC4)c3[nH]2)cc1
InChIInChI=1S/C21H24BrN5O/c1-28-16-6-4-15(5-7-16)20-24-18-19(17(22)12-23-21(18)25-20)27-10-8-26(9-11-27)13-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,23,24,25)
InChIKeySJSGETNZEOIGHE-UHFFFAOYSA-N
MW442.36 g/mol
LogP3.93
Rot. Bonds5

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

6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 46866787) has the molecular formula C21H24BrN5O and a molecular weight of 442.36 g/mol. Its IUPAC name is 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID46866787
Molecular FormulaC21H24BrN5O
Molecular Weight442.36 g/mol
Exact Mass441.12
IUPAC Name6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(CC5CC5)CC4)c3[nH]2)cc1
InChIInChI=1S/C21H24BrN5O/c1-28-16-6-4-15(5-7-16)20-24-18-19(17(22)12-23-21(18)25-20)27-10-8-26(9-11-27)13-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,23,24,25)
InChIKeySJSGETNZEOIGHE-UHFFFAOYSA-N
XLogP3.93
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 46866787) is 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2nc3ncc(Br)c(N4CCN(CC5CC5)CC4)c3[nH]2)cc1.
What is the InChIKey of 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is SJSGETNZEOIGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O/c1-28-16-6-4-15(5-7-16)20-24-18-19(17(22)12-23-21(18)25-20)27-10-8-26(9-11-27)13-14-2-3-14/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,23,24,25).
What are the key properties of 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 442.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 46866787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).