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

C27H24N4O2 — CID 177376561

IUPAC(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1
InChIInChI=1S/C27H24N4O2/c28-22-11-13-30(14-12-22)27(32)19-7-5-18(6-8-19)21-9-10-26-29-16-23(31(26)17-21)25-15-20-3-1-2-4-24(20)33-25/h1-10,15-17,22H,11-14,28H2
InChIKeyGXUYZVYTXZYDQM-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.98
Rot. Bonds3

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

(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone (PubChem CID 177376561) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
PubChem CID177376561
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1
InChIInChI=1S/C27H24N4O2/c28-22-11-13-30(14-12-22)27(32)19-7-5-18(6-8-19)21-9-10-26-29-16-23(31(26)17-21)25-15-20-3-1-2-4-24(20)33-25/h1-10,15-17,22H,11-14,28H2
InChIKeyGXUYZVYTXZYDQM-UHFFFAOYSA-N
XLogP4.98
TPSA76.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone (CID 177376561) is (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone is NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The InChIKey is GXUYZVYTXZYDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c28-22-11-13-30(14-12-22)27(32)19-7-5-18(6-8-19)21-9-10-26-29-16-23(31(26)17-21)25-15-20-3-1-2-4-24(20)33-25/h1-10,15-17,22H,11-14,28H2.
What are the key properties of (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone has a molecular weight of 436.52 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone is sourced from PubChem (CID 177376561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).