1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone

C25H22N2O3 — CID 130472704

IUPAC1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone
SMILESCC(=O)c1ccn2cc(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)nc2c1
InChIInChI=1S/C25H22N2O3/c1-17(28)20-11-12-27-15-24(26-25(27)13-20)19-7-9-21(10-8-19)30-23-4-2-3-22(14-23)29-16-18-5-6-18/h2-4,7-15,18H,5-6,16H2,1H3
InChIKeyPNGNUBSOZAVRNS-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.78
Rot. Bonds7

About 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone

1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone (PubChem CID 130472704) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone
PubChem CID130472704
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone
SMILESCC(=O)c1ccn2cc(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)nc2c1
InChIInChI=1S/C25H22N2O3/c1-17(28)20-11-12-27-15-24(26-25(27)13-20)19-7-9-21(10-8-19)30-23-4-2-3-22(14-23)29-16-18-5-6-18/h2-4,7-15,18H,5-6,16H2,1H3
InChIKeyPNGNUBSOZAVRNS-UHFFFAOYSA-N
XLogP5.78
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone?
The IUPAC name of 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone (CID 130472704) is 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone.
What is the SMILES notation for 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone?
The canonical SMILES for 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone is CC(=O)c1ccn2cc(-c3ccc(Oc4cccc(OCC5CC5)c4)cc3)nc2c1.
What is the InChIKey of 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone?
The InChIKey is PNGNUBSOZAVRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-17(28)20-11-12-27-15-24(26-25(27)13-20)19-7-9-21(10-8-19)30-23-4-2-3-22(14-23)29-16-18-5-6-18/h2-4,7-15,18H,5-6,16H2,1H3.
What are the key properties of 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone?
1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone has a molecular weight of 398.46 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]imidazo[1,2-a]pyridin-7-yl]ethanone is sourced from PubChem (CID 130472704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).