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

C26H23N5O2 — CID 155326215

IUPAC(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
InChIInChI=1S/C26H23N5O2/c27-20-11-13-30(14-12-20)26(32)18-7-5-17(6-8-18)21-9-10-25-28-16-22(31(25)29-21)24-15-19-3-1-2-4-23(19)33-24/h1-10,15-16,20H,11-14,27H2
InChIKeyZRIDICSQDPQVEH-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.37
Rot. Bonds3

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

(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 155326215) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
PubChem CID155326215
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
SMILESNC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
InChIInChI=1S/C26H23N5O2/c27-20-11-13-30(14-12-20)26(32)18-7-5-17(6-8-18)21-9-10-25-28-16-22(31(25)29-21)24-15-19-3-1-2-4-23(19)33-24/h1-10,15-16,20H,11-14,27H2
InChIKeyZRIDICSQDPQVEH-UHFFFAOYSA-N
XLogP4.37
TPSA89.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-b]pyridazin-6-yl]phenyl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 155326215) is (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is NC1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
The InChIKey is ZRIDICSQDPQVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c27-20-11-13-30(14-12-20)26(32)18-7-5-17(6-8-18)21-9-10-25-28-16-22(31(25)29-21)24-15-19-3-1-2-4-23(19)33-24/h1-10,15-16,20H,11-14,27H2.
What are the key properties of (4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?
(4-aminopiperidin-1-yl)-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 437.50 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 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-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 155326215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).