(4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone

C21H21F2N5O3 — CID 134588229

IUPAC(4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)N3CCC(F)(F)CC3)nn2)cn1
InChIInChI=1S/C21H21F2N5O3/c1-13-3-4-15(11-24-13)19-16(14(2)31-27-19)12-30-18-6-5-17(25-26-18)20(29)28-9-7-21(22,23)8-10-28/h3-6,11H,7-10,12H2,1-2H3
InChIKeyGATINIWPQICACK-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.59
Rot. Bonds5

About (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone (PubChem CID 134588229) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
PubChem CID134588229
Molecular FormulaC21H21F2N5O3
Molecular Weight429.43 g/mol
Exact Mass429.16
IUPAC Name(4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)N3CCC(F)(F)CC3)nn2)cn1
InChIInChI=1S/C21H21F2N5O3/c1-13-3-4-15(11-24-13)19-16(14(2)31-27-19)12-30-18-6-5-17(25-26-18)20(29)28-9-7-21(22,23)8-10-28/h3-6,11H,7-10,12H2,1-2H3
InChIKeyGATINIWPQICACK-UHFFFAOYSA-N
XLogP3.59
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone (CID 134588229) is (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone is Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)N3CCC(F)(F)CC3)nn2)cn1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone?
The InChIKey is GATINIWPQICACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-13-3-4-15(11-24-13)19-16(14(2)31-27-19)12-30-18-6-5-17(25-26-18)20(29)28-9-7-21(22,23)8-10-28/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone has a molecular weight of 429.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone is sourced from PubChem (CID 134588229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).