(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol

C22H18N4O2 — CID 71014853

IUPAC(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol
SMILESO[C@H](CNc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1
InChIInChI=1S/C22H18N4O2/c27-18(15-6-2-1-3-7-15)14-23-21-10-11-22-24-13-17(26(22)25-21)20-12-16-8-4-5-9-19(16)28-20/h1-13,18,27H,14H2,(H,23,25)/t18-/m1/s1
InChIKeyAEWCZIWKJPNHNP-GOSISDBHSA-N
MW370.41 g/mol
LogP4.29
Rot. Bonds5

About (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol

(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol (PubChem CID 71014853) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol
PubChem CID71014853
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol
SMILESO[C@H](CNc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1
InChIInChI=1S/C22H18N4O2/c27-18(15-6-2-1-3-7-15)14-23-21-10-11-22-24-13-17(26(22)25-21)20-12-16-8-4-5-9-19(16)28-20/h1-13,18,27H,14H2,(H,23,25)/t18-/m1/s1
InChIKeyAEWCZIWKJPNHNP-GOSISDBHSA-N
XLogP4.29
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol?
The IUPAC name of (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol (CID 71014853) is (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol?
The canonical SMILES for (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol is O[C@H](CNc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccccc1.
What is the InChIKey of (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol?
The InChIKey is AEWCZIWKJPNHNP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H18N4O2/c27-18(15-6-2-1-3-7-15)14-23-21-10-11-22-24-13-17(26(22)25-21)20-12-16-8-4-5-9-19(16)28-20/h1-13,18,27H,14H2,(H,23,25)/t18-/m1/s1.
What are the key properties of (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol?
(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol has a molecular weight of 370.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol is sourced from PubChem (CID 71014853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).