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

C19H18N4OS — CID 78427108

IUPAC[(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1ccc2ncc(-c3cc4ccccc4s3)n2n1
InChIInChI=1S/C19H18N4OS/c24-12-14-5-3-9-22(14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m0/s1
InChIKeyKNLGXSDFLPSTEN-AWEZNQCLSA-N
MW350.45 g/mol
LogP3.57
Rot. Bonds3

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

[(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol (PubChem CID 78427108) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol
PubChem CID78427108
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name[(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol
SMILESOC[C@@H]1CCCN1c1ccc2ncc(-c3cc4ccccc4s3)n2n1
InChIInChI=1S/C19H18N4OS/c24-12-14-5-3-9-22(14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m0/s1
InChIKeyKNLGXSDFLPSTEN-AWEZNQCLSA-N
XLogP3.57
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol (CID 78427108) is [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol is OC[C@@H]1CCCN1c1ccc2ncc(-c3cc4ccccc4s3)n2n1.
What is the InChIKey of [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol?
The InChIKey is KNLGXSDFLPSTEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N4OS/c24-12-14-5-3-9-22(14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m0/s1.
What are the key properties of [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol?
[(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol has a molecular weight of 350.45 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 78427108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).