2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H18F2N6O2S — CID 165126294

IUPAC2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cc(-c2cc(=O)n3cc([C@@]4(F)CCNC[C@H]4F)sc3n2)nn2cc(C)nc12
InChIInChI=1S/C19H18F2N6O2S/c1-10-8-27-17(23-10)13(29-2)5-12(25-27)11-6-16(28)26-9-15(30-18(26)24-11)19(21)3-4-22-7-14(19)20/h5-6,8-9,14,22H,3-4,7H2,1-2H3/t14-,19-/m1/s1
InChIKeyUGVMEWFIUVSFGG-AUUYWEPGSA-N
MW432.46 g/mol
LogP2.28
Rot. Bonds3

About 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 165126294) has the molecular formula C19H18F2N6O2S and a molecular weight of 432.46 g/mol. Its IUPAC name is 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID165126294
Molecular FormulaC19H18F2N6O2S
Molecular Weight432.46 g/mol
Exact Mass432.12
IUPAC Name2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCOc1cc(-c2cc(=O)n3cc([C@@]4(F)CCNC[C@H]4F)sc3n2)nn2cc(C)nc12
InChIInChI=1S/C19H18F2N6O2S/c1-10-8-27-17(23-10)13(29-2)5-12(25-27)11-6-16(28)26-9-15(30-18(26)24-11)19(21)3-4-22-7-14(19)20/h5-6,8-9,14,22H,3-4,7H2,1-2H3/t14-,19-/m1/s1
InChIKeyUGVMEWFIUVSFGG-AUUYWEPGSA-N
XLogP2.28
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 165126294) is 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is COc1cc(-c2cc(=O)n3cc([C@@]4(F)CCNC[C@H]4F)sc3n2)nn2cc(C)nc12.
What is the InChIKey of 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UGVMEWFIUVSFGG-AUUYWEPGSA-N. The full InChI is InChI=1S/C19H18F2N6O2S/c1-10-8-27-17(23-10)13(29-2)5-12(25-27)11-6-16(28)26-9-15(30-18(26)24-11)19(21)3-4-22-7-14(19)20/h5-6,8-9,14,22H,3-4,7H2,1-2H3/t14-,19-/m1/s1.
What are the key properties of 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 432.46 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3,4-difluoropiperidin-4-yl]-7-(8-methoxy-2-methylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 165126294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).