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

C27H24N4O2 — CID 177376562

IUPAC[(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)C1
InChIInChI=1S/C27H24N4O2/c28-22-5-3-13-30(17-22)27(32)19-9-7-18(8-10-19)21-11-12-26-29-15-23(31(26)16-21)25-14-20-4-1-2-6-24(20)33-25/h1-2,4,6-12,14-16,22H,3,5,13,17,28H2/t22-/m1/s1
InChIKeyVQBHHVIUAXNAOC-JOCHJYFZSA-N
MW436.52 g/mol
LogP4.98
Rot. Bonds3

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

[(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone (PubChem CID 177376562) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
PubChem CID177376562
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone
SMILESN[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)C1
InChIInChI=1S/C27H24N4O2/c28-22-5-3-13-30(17-22)27(32)19-9-7-18(8-10-19)21-11-12-26-29-15-23(31(26)16-21)25-14-20-4-1-2-6-24(20)33-25/h1-2,4,6-12,14-16,22H,3,5,13,17,28H2/t22-/m1/s1
InChIKeyVQBHHVIUAXNAOC-JOCHJYFZSA-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 [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone (CID 177376562) is [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone is N[C@@H]1CCCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)C1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
The InChIKey is VQBHHVIUAXNAOC-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H24N4O2/c28-22-5-3-13-30(17-22)27(32)19-9-7-18(8-10-19)21-11-12-26-29-15-23(31(26)16-21)25-14-20-4-1-2-6-24(20)33-25/h1-2,4,6-12,14-16,22H,3,5,13,17,28H2/t22-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone?
[(3R)-3-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 [(3R)-3-aminopiperidin-1-yl]-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]methanone is sourced from PubChem (CID 177376562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).