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

C24H27BrN6O2 — CID 23585535

IUPAC4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5coc(C(C)C)n5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H27BrN6O2/c1-15(2)24-27-17(14-33-24)13-30-8-10-31(11-9-30)21-19(25)12-26-23-20(21)28-22(29-23)16-4-6-18(32-3)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,26,28,29)
InChIKeySCAMHRDMXZULEX-UHFFFAOYSA-N
MW511.42 g/mol
LogP4.83
Rot. Bonds6

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

4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole (PubChem CID 23585535) has the molecular formula C24H27BrN6O2 and a molecular weight of 511.42 g/mol. Its IUPAC name is 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
PubChem CID23585535
Molecular FormulaC24H27BrN6O2
Molecular Weight511.42 g/mol
Exact Mass510.14
IUPAC Name4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
SMILESCOc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5coc(C(C)C)n5)CC4)c3[nH]2)cc1
InChIInChI=1S/C24H27BrN6O2/c1-15(2)24-27-17(14-33-24)13-30-8-10-31(11-9-30)21-19(25)12-26-23-20(21)28-22(29-23)16-4-6-18(32-3)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,26,28,29)
InChIKeySCAMHRDMXZULEX-UHFFFAOYSA-N
XLogP4.83
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.42
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole (CID 23585535) is 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole is COc1ccc(-c2nc3ncc(Br)c(N4CCN(Cc5coc(C(C)C)n5)CC4)c3[nH]2)cc1.
What is the InChIKey of 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is SCAMHRDMXZULEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN6O2/c1-15(2)24-27-17(14-33-24)13-30-8-10-31(11-9-30)21-19(25)12-26-23-20(21)28-22(29-23)16-4-6-18(32-3)7-5-16/h4-7,12,14-15H,8-11,13H2,1-3H3,(H,26,28,29).
What are the key properties of 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole?
4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 511.42 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-bromo-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridin-7-yl]piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 23585535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).