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

C27H23N3O2 — CID 177376550

IUPAC[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCCCC1
InChIInChI=1S/C27H23N3O2/c31-27(29-14-4-1-5-15-29)20-10-8-19(9-11-20)22-12-13-26-28-17-23(30(26)18-22)25-16-21-6-2-3-7-24(21)32-25/h2-3,6-13,16-18H,1,4-5,14-15H2
InChIKeyCMPBIALPWFHSMB-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.04
Rot. Bonds3

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

[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone (PubChem CID 177376550) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone
PubChem CID177376550
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCCCC1
InChIInChI=1S/C27H23N3O2/c31-27(29-14-4-1-5-15-29)20-10-8-19(9-11-20)22-12-13-26-28-17-23(30(26)18-22)25-16-21-6-2-3-7-24(21)32-25/h2-3,6-13,16-18H,1,4-5,14-15H2
InChIKeyCMPBIALPWFHSMB-UHFFFAOYSA-N
XLogP6.04
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]-piperidin-1-ylmethanone?
The IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone (CID 177376550) is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone is O=C(c1ccc(-c2ccc3ncc(-c4cc5ccccc5o4)n3c2)cc1)N1CCCCC1.
What is the InChIKey of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone?
The InChIKey is CMPBIALPWFHSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c31-27(29-14-4-1-5-15-29)20-10-8-19(9-11-20)22-12-13-26-28-17-23(30(26)18-22)25-16-21-6-2-3-7-24(21)32-25/h2-3,6-13,16-18H,1,4-5,14-15H2.
What are the key properties of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone?
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-piperidin-1-ylmethanone has a molecular weight of 421.50 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 177376550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).