6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

C17H19F3N6O2 — CID 126889610

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)13-9-14(22-10-21-13)23-11-2-5-25(6-3-11)16(27)12-8-15-26(24-12)4-1-7-28-15/h8-11H,1-7H2,(H,21,22,23)
InChIKeySHQFUTKABZIYSD-UHFFFAOYSA-N
MW396.37 g/mol
LogP2.19
Rot. Bonds3

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (PubChem CID 126889610) has the molecular formula C17H19F3N6O2 and a molecular weight of 396.37 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
PubChem CID126889610
Molecular FormulaC17H19F3N6O2
Molecular Weight396.37 g/mol
Exact Mass396.15
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C17H19F3N6O2/c18-17(19,20)13-9-14(22-10-21-13)23-11-2-5-25(6-3-11)16(27)12-8-15-26(24-12)4-1-7-28-15/h8-11H,1-7H2,(H,21,22,23)
InChIKeySHQFUTKABZIYSD-UHFFFAOYSA-N
XLogP2.19
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone (CID 126889610) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is O=C(c1cc2n(n1)CCCO2)N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
The InChIKey is SHQFUTKABZIYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6O2/c18-17(19,20)13-9-14(22-10-21-13)23-11-2-5-25(6-3-11)16(27)12-8-15-26(24-12)4-1-7-28-15/h8-11H,1-7H2,(H,21,22,23).
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone has a molecular weight of 396.37 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 126889610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).