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

C28H27N5O2 — CID 155326198

IUPAC[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
InChIInChI=1S/C28H27N5O2/c1-31(2)22-13-15-32(16-14-22)28(34)20-9-7-19(8-10-20)23-11-12-27-29-18-24(33(27)30-23)26-17-21-5-3-4-6-25(21)35-26/h3-12,17-18,22H,13-16H2,1-2H3
InChIKeyPOSZZZFFLNLQCL-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-(dimethylamino)piperidin-1-yl]methanone

[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (PubChem CID 155326198) 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-(dimethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
PubChem CID155326198
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-(dimethylamino)piperidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4n3)cc2)CC1
InChIInChI=1S/C28H27N5O2/c1-31(2)22-13-15-32(16-14-22)28(34)20-9-7-19(8-10-20)23-11-12-27-29-18-24(33(27)30-23)26-17-21-5-3-4-6-25(21)35-26/h3-12,17-18,22H,13-16H2,1-2H3
InChIKeyPOSZZZFFLNLQCL-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-(dimethylamino)piperidin-1-yl]methanone?
The IUPAC name of [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone (CID 155326198) is [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone?
The canonical SMILES for [4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone is CN(C)C1CCN(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-(dimethylamino)piperidin-1-yl]methanone?
The InChIKey is POSZZZFFLNLQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c1-31(2)22-13-15-32(16-14-22)28(34)20-9-7-19(8-10-20)23-11-12-27-29-18-24(33(27)30-23)26-17-21-5-3-4-6-25(21)35-26/h3-12,17-18,22H,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-(dimethylamino)piperidin-1-yl]methanone?
[4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]phenyl]-[4-(dimethylamino)piperidin-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-(dimethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 155326198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).