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

C25H26N2O3 — CID 164610020

IUPAC2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol
SMILESCC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)(C)O)cc4)cn23)cc1
InChIInChI=1S/C25H26N2O3/c1-17(2)29-21-10-7-19(8-11-21)23-15-26-24-14-9-20(16-27(23)24)18-5-12-22(13-6-18)30-25(3,4)28/h5-17,28H,1-4H3
InChIKeyQDGCHKAKSPZJNP-UHFFFAOYSA-N
MW402.49 g/mol
LogP5.56
Rot. Bonds6

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

2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol (PubChem CID 164610020) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol
PubChem CID164610020
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol
SMILESCC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)(C)O)cc4)cn23)cc1
InChIInChI=1S/C25H26N2O3/c1-17(2)29-21-10-7-19(8-11-21)23-15-26-24-14-9-20(16-27(23)24)18-5-12-22(13-6-18)30-25(3,4)28/h5-17,28H,1-4H3
InChIKeyQDGCHKAKSPZJNP-UHFFFAOYSA-N
XLogP5.56
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol?
The IUPAC name of 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol (CID 164610020) is 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol.
What is the SMILES notation for 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol?
The canonical SMILES for 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol is CC(C)Oc1ccc(-c2cnc3ccc(-c4ccc(OC(C)(C)O)cc4)cn23)cc1.
What is the InChIKey of 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol?
The InChIKey is QDGCHKAKSPZJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-17(2)29-21-10-7-19(8-11-21)23-15-26-24-14-9-20(16-27(23)24)18-5-12-22(13-6-18)30-25(3,4)28/h5-17,28H,1-4H3.
What are the key properties of 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol?
2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol has a molecular weight of 402.49 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenoxy]propan-2-ol is sourced from PubChem (CID 164610020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).