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

C26H21N3O2S — CID 177376544

IUPAC[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5s4)n3c2)cc1)N1CCOCC1
InChIInChI=1S/C26H21N3O2S/c30-26(28-11-13-31-14-12-28)19-7-5-18(6-8-19)21-9-10-25-27-16-22(29(25)17-21)24-15-20-3-1-2-4-23(20)32-24/h1-10,15-17H,11-14H2
InChIKeyKGLJXZUKNYLHMK-UHFFFAOYSA-N
MW439.54 g/mol
LogP5.36
Rot. Bonds3

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

[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 177376544) has the molecular formula C26H21N3O2S and a molecular weight of 439.54 g/mol. Its IUPAC name is [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID177376544
Molecular FormulaC26H21N3O2S
Molecular Weight439.54 g/mol
Exact Mass439.14
IUPAC Name[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5s4)n3c2)cc1)N1CCOCC1
InChIInChI=1S/C26H21N3O2S/c30-26(28-11-13-31-14-12-28)19-7-5-18(6-8-19)21-9-10-25-27-16-22(29(25)17-21)24-15-20-3-1-2-4-23(20)32-24/h1-10,15-17H,11-14H2
InChIKeyKGLJXZUKNYLHMK-UHFFFAOYSA-N
XLogP5.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone (CID 177376544) is [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5s4)n3c2)cc1)N1CCOCC1.
What is the InChIKey of [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is KGLJXZUKNYLHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2S/c30-26(28-11-13-31-14-12-28)19-7-5-18(6-8-19)21-9-10-25-27-16-22(29(25)17-21)24-15-20-3-1-2-4-23(20)32-24/h1-10,15-17H,11-14H2.
What are the key properties of [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone?
[4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 439.54 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-benzothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 177376544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).