4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine

C28H31N3O3 — CID 134179285

IUPAC4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine
SMILESCC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cn23)cc1
InChIInChI=1S/C28H31N3O3/c1-21(2)34-26-10-5-23(6-11-26)27-19-29-28-12-7-24(20-31(27)28)22-3-8-25(9-4-22)33-18-15-30-13-16-32-17-14-30/h3-12,19-21H,13-18H2,1-2H3
InChIKeyCJWUZJRFXFRWSJ-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.17
Rot. Bonds8

About 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine

4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine (PubChem CID 134179285) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine
PubChem CID134179285
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine
SMILESCC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cn23)cc1
InChIInChI=1S/C28H31N3O3/c1-21(2)34-26-10-5-23(6-11-26)27-19-29-28-12-7-24(20-31(27)28)22-3-8-25(9-4-22)33-18-15-30-13-16-32-17-14-30/h3-12,19-21H,13-18H2,1-2H3
InChIKeyCJWUZJRFXFRWSJ-UHFFFAOYSA-N
XLogP5.17
TPSA48.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine (CID 134179285) is 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine is CC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OCCN5CCOCC5)cc4)cn23)cc1.
What is the InChIKey of 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine?
The InChIKey is CJWUZJRFXFRWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-21(2)34-26-10-5-23(6-11-26)27-19-29-28-12-7-24(20-31(27)28)22-3-8-25(9-4-22)33-18-15-30-13-16-32-17-14-30/h3-12,19-21H,13-18H2,1-2H3.
What are the key properties of 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine?
4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine has a molecular weight of 457.57 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 134179285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).