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

C23H25ClN6O3 — CID 46868085

IUPAC2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol
SMILESCc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(OCCO)cc5)[nH]c34)CC2)no1
InChIInChI=1S/C23H25ClN6O3/c1-15-12-17(28-33-15)14-29-6-8-30(9-7-29)21-19(24)13-25-23-20(21)26-22(27-23)16-2-4-18(5-3-16)32-11-10-31/h2-5,12-13,31H,6-11,14H2,1H3,(H,25,26,27)
InChIKeyJRZOYDCGHBZCQE-UHFFFAOYSA-N
MW468.95 g/mol
LogP3.27
Rot. Bonds7

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

2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol (PubChem CID 46868085) has the molecular formula C23H25ClN6O3 and a molecular weight of 468.95 g/mol. Its IUPAC name is 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol
PubChem CID46868085
Molecular FormulaC23H25ClN6O3
Molecular Weight468.95 g/mol
Exact Mass468.17
IUPAC Name2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol
SMILESCc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(OCCO)cc5)[nH]c34)CC2)no1
InChIInChI=1S/C23H25ClN6O3/c1-15-12-17(28-33-15)14-29-6-8-30(9-7-29)21-19(24)13-25-23-20(21)26-22(27-23)16-2-4-18(5-3-16)32-11-10-31/h2-5,12-13,31H,6-11,14H2,1H3,(H,25,26,27)
InChIKeyJRZOYDCGHBZCQE-UHFFFAOYSA-N
XLogP3.27
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol (CID 46868085) is 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol is Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(OCCO)cc5)[nH]c34)CC2)no1.
What is the InChIKey of 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol?
The InChIKey is JRZOYDCGHBZCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O3/c1-15-12-17(28-33-15)14-29-6-8-30(9-7-29)21-19(24)13-25-23-20(21)26-22(27-23)16-2-4-18(5-3-16)32-11-10-31/h2-5,12-13,31H,6-11,14H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol?
2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol has a molecular weight of 468.95 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-chloro-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]phenoxy]ethanol is sourced from PubChem (CID 46868085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).