4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine

C26H30ClN7O2 — CID 71459408

IUPAC4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
SMILESCc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cccc(CN6CCOCC6)c5)[nH]c34)CC2)no1
InChIInChI=1S/C26H30ClN7O2/c1-18-13-21(31-36-18)17-32-5-7-34(8-6-32)24-22(27)15-28-26-23(24)29-25(30-26)20-4-2-3-19(14-20)16-33-9-11-35-12-10-33/h2-4,13-15H,5-12,16-17H2,1H3,(H,28,29,30)
InChIKeyXBYOPVXFZZWWMR-UHFFFAOYSA-N
MW508.03 g/mol
LogP3.73
Rot. Bonds6

About 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine

4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine (PubChem CID 71459408) has the molecular formula C26H30ClN7O2 and a molecular weight of 508.03 g/mol. Its IUPAC name is 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
PubChem CID71459408
Molecular FormulaC26H30ClN7O2
Molecular Weight508.03 g/mol
Exact Mass507.21
IUPAC Name4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine
SMILESCc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cccc(CN6CCOCC6)c5)[nH]c34)CC2)no1
InChIInChI=1S/C26H30ClN7O2/c1-18-13-21(31-36-18)17-32-5-7-34(8-6-32)24-22(27)15-28-26-23(24)29-25(30-26)20-4-2-3-19(14-20)16-33-9-11-35-12-10-33/h2-4,13-15H,5-12,16-17H2,1H3,(H,28,29,30)
InChIKeyXBYOPVXFZZWWMR-UHFFFAOYSA-N
XLogP3.73
TPSA86.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.03
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine (CID 71459408) is 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine is Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cccc(CN6CCOCC6)c5)[nH]c34)CC2)no1.
What is the InChIKey of 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
The InChIKey is XBYOPVXFZZWWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN7O2/c1-18-13-21(31-36-18)17-32-5-7-34(8-6-32)24-22(27)15-28-26-23(24)29-25(30-26)20-4-2-3-19(14-20)16-33-9-11-35-12-10-33/h2-4,13-15H,5-12,16-17H2,1H3,(H,28,29,30).
What are the key properties of 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine?
4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine has a molecular weight of 508.03 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 71459408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).