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

C28H27N5O2 — CID 155326235

IUPAC[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
InChIInChI=1S/C28H27N5O2/c1-19(2)31-13-15-32(16-14-31)28(34)21-9-7-20(8-10-21)23-11-12-27-29-18-24(33(27)30-23)26-17-22-5-3-4-6-25(22)35-26/h3-12,17-19H,13-16H2,1-2H3
InChIKeyOKRJGHDKCHGQNC-UHFFFAOYSA-N
MW465.56 g/mol
LogP4.98
Rot. Bonds4

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

[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 155326235) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID155326235
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
InChIInChI=1S/C28H27N5O2/c1-19(2)31-13-15-32(16-14-31)28(34)21-9-7-20(8-10-21)23-11-12-27-29-18-24(33(27)30-23)26-17-22-5-3-4-6-25(22)35-26/h3-12,17-19H,13-16H2,1-2H3
InChIKeyOKRJGHDKCHGQNC-UHFFFAOYSA-N
XLogP4.98
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 155326235) is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1.
What is the InChIKey of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is OKRJGHDKCHGQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-19(2)31-13-15-32(16-14-31)28(34)21-9-7-20(8-10-21)23-11-12-27-29-18-24(33(27)30-23)26-17-22-5-3-4-6-25(22)35-26/h3-12,17-19H,13-16H2,1-2H3.
What are the key properties of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 465.56 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 155326235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).