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

C22H27F3N6O2 — CID 91811573

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(N2CCN(c3ncccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C22H27F3N6O2/c23-22(24,25)17-3-1-6-26-20(17)29-12-10-28(11-13-29)16-4-8-30(9-5-16)21(32)18-15-19-31(27-18)7-2-14-33-19/h1,3,6,15-16H,2,4-5,7-14H2
InChIKeyKDBAEUXPRHAXNN-UHFFFAOYSA-N
MW464.49 g/mol
LogP2.51
Rot. Bonds3

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 91811573) has the molecular formula C22H27F3N6O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID91811573
Molecular FormulaC22H27F3N6O2
Molecular Weight464.49 g/mol
Exact Mass464.21
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(N2CCN(c3ncccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C22H27F3N6O2/c23-22(24,25)17-3-1-6-26-20(17)29-12-10-28(11-13-29)16-4-8-30(9-5-16)21(32)18-15-19-31(27-18)7-2-14-33-19/h1,3,6,15-16H,2,4-5,7-14H2
InChIKeyKDBAEUXPRHAXNN-UHFFFAOYSA-N
XLogP2.51
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone (CID 91811573) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone is O=C(c1cc2n(n1)CCCO2)N1CCC(N2CCN(c3ncccc3C(F)(F)F)CC2)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is KDBAEUXPRHAXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F3N6O2/c23-22(24,25)17-3-1-6-26-20(17)29-12-10-28(11-13-29)16-4-8-30(9-5-16)21(32)18-15-19-31(27-18)7-2-14-33-19/h1,3,6,15-16H,2,4-5,7-14H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 464.49 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 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-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91811573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).