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

C26H22N4O2 — CID 177376556

IUPAC[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCNCC1
InChIInChI=1S/C26H22N4O2/c31-26(29-13-11-27-12-14-29)19-7-5-18(6-8-19)21-9-10-25-28-16-22(30(25)17-21)24-15-20-3-1-2-4-23(20)32-24/h1-10,15-17,27H,11-14H2
InChIKeyLXNUFRAUJVQQOV-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.46
Rot. Bonds3

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

[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 177376556) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID177376556
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCNCC1
InChIInChI=1S/C26H22N4O2/c31-26(29-13-11-27-12-14-29)19-7-5-18(6-8-19)21-9-10-25-28-16-22(30(25)17-21)24-15-20-3-1-2-4-23(20)32-24/h1-10,15-17,27H,11-14H2
InChIKeyLXNUFRAUJVQQOV-UHFFFAOYSA-N
XLogP4.46
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone (CID 177376556) is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone is O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCNCC1.
What is the InChIKey of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is LXNUFRAUJVQQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c31-26(29-13-11-27-12-14-29)19-7-5-18(6-8-19)21-9-10-25-28-16-22(30(25)17-21)24-15-20-3-1-2-4-23(20)32-24/h1-10,15-17,27H,11-14H2.
What are the key properties of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone?
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 422.49 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 177376556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).