[4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone

C26H21N3O3 — CID 177376547

IUPAC[4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5occc5c4)n3c2)cc1)N1CCOCC1
InChIInChI=1S/C26H21N3O3/c30-26(28-10-13-31-14-11-28)19-3-1-18(2-4-19)22-6-8-25-27-16-23(29(25)17-22)20-5-7-24-21(15-20)9-12-32-24/h1-9,12,15-17H,10-11,13-14H2
InChIKeyHMVSRLUUXHNABC-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.89
Rot. Bonds3

About [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone

[4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 177376547) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID177376547
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name[4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4ccc5occc5c4)n3c2)cc1)N1CCOCC1
InChIInChI=1S/C26H21N3O3/c30-26(28-10-13-31-14-11-28)19-3-1-18(2-4-19)22-6-8-25-27-16-23(29(25)17-22)20-5-7-24-21(15-20)9-12-32-24/h1-9,12,15-17H,10-11,13-14H2
InChIKeyHMVSRLUUXHNABC-UHFFFAOYSA-N
XLogP4.89
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 177376547) is [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3ncc(-c4ccc5occc5c4)n3c2)cc1)N1CCOCC1.
What is the InChIKey of [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is HMVSRLUUXHNABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c30-26(28-10-13-31-14-11-28)19-3-1-18(2-4-19)22-6-8-25-27-16-23(29(25)17-22)20-5-7-24-21(15-20)9-12-32-24/h1-9,12,15-17H,10-11,13-14H2.
What are the key properties of [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 423.47 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-benzofuran-5-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177376547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).