4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline

C24H20N6O2 — CID 157032355

IUPAC4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccnc4ccccc34)c3nccn3n2)c(OC)n1
InChIInChI=1S/C24H20N6O2/c1-31-23-19(13-27-24(28-23)32-2)21-12-18(22-26-9-10-30(22)29-21)17-11-16(17)14-7-8-25-20-6-4-3-5-15(14)20/h3-10,12-13,16-17H,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyOPGKJZLTMIHJME-SJORKVTESA-N
MW424.46 g/mol
LogP4.02
Rot. Bonds5

About 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline

4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline (PubChem CID 157032355) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline.

Molecular Properties

Compound Name4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline
PubChem CID157032355
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline
SMILESCOc1ncc(-c2cc([C@H]3C[C@@H]3c3ccnc4ccccc34)c3nccn3n2)c(OC)n1
InChIInChI=1S/C24H20N6O2/c1-31-23-19(13-27-24(28-23)32-2)21-12-18(22-26-9-10-30(22)29-21)17-11-16(17)14-7-8-25-20-6-4-3-5-15(14)20/h3-10,12-13,16-17H,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyOPGKJZLTMIHJME-SJORKVTESA-N
XLogP4.02
TPSA87.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline?
The IUPAC name of 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline (CID 157032355) is 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline.
What is the SMILES notation for 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline?
The canonical SMILES for 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline is COc1ncc(-c2cc([C@H]3C[C@@H]3c3ccnc4ccccc34)c3nccn3n2)c(OC)n1.
What is the InChIKey of 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline?
The InChIKey is OPGKJZLTMIHJME-SJORKVTESA-N. The full InChI is InChI=1S/C24H20N6O2/c1-31-23-19(13-27-24(28-23)32-2)21-12-18(22-26-9-10-30(22)29-21)17-11-16(17)14-7-8-25-20-6-4-3-5-15(14)20/h3-10,12-13,16-17H,11H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline?
4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline has a molecular weight of 424.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-[6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclopropyl]quinoline is sourced from PubChem (CID 157032355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).