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

C19H18N4O2 — CID 71144923

IUPAC[(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1
InChIInChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m0/s1
InChIKeyQONSLEFPHMKVIW-ZDUSSCGKSA-N
MW334.38 g/mol
LogP2.96
Rot. Bonds3

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

[(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol (PubChem CID 71144923) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol
PubChem CID71144923
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name[(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1
InChIInChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m0/s1
InChIKeyQONSLEFPHMKVIW-ZDUSSCGKSA-N
XLogP2.96
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol (CID 71144923) is [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol is OC[C@H]1CCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1.
What is the InChIKey of [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol?
The InChIKey is QONSLEFPHMKVIW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m0/s1.
What are the key properties of [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol?
[(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol has a molecular weight of 334.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 71144923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).