4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one

C16H20F3N5O3 — CID 118535841

IUPAC4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
SMILESO=C1c2n[nH]c(C(F)(F)F)c2CCN1C1CCN(N2CCOCC2=O)CC1
InChIInChI=1S/C16H20F3N5O3/c17-16(18,19)14-11-3-6-23(15(26)13(11)20-21-14)10-1-4-22(5-2-10)24-7-8-27-9-12(24)25/h10H,1-9H2,(H,20,21)
InChIKeyTWXYHVYMBXOUJL-UHFFFAOYSA-N
MW387.36 g/mol
LogP0.67
Rot. Bonds2

About 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one

4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (PubChem CID 118535841) has the molecular formula C16H20F3N5O3 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
PubChem CID118535841
Molecular FormulaC16H20F3N5O3
Molecular Weight387.36 g/mol
Exact Mass387.15
IUPAC Name4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
SMILESO=C1c2n[nH]c(C(F)(F)F)c2CCN1C1CCN(N2CCOCC2=O)CC1
InChIInChI=1S/C16H20F3N5O3/c17-16(18,19)14-11-3-6-23(15(26)13(11)20-21-14)10-1-4-22(5-2-10)24-7-8-27-9-12(24)25/h10H,1-9H2,(H,20,21)
InChIKeyTWXYHVYMBXOUJL-UHFFFAOYSA-N
XLogP0.67
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The IUPAC name of 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (CID 118535841) is 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one.
What is the SMILES notation for 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The canonical SMILES for 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one is O=C1c2n[nH]c(C(F)(F)F)c2CCN1C1CCN(N2CCOCC2=O)CC1.
What is the InChIKey of 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The InChIKey is TWXYHVYMBXOUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O3/c17-16(18,19)14-11-3-6-23(15(26)13(11)20-21-14)10-1-4-22(5-2-10)24-7-8-27-9-12(24)25/h10H,1-9H2,(H,20,21).
What are the key properties of 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one has a molecular weight of 387.36 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[7-oxo-3-(trifluoromethyl)-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one is sourced from PubChem (CID 118535841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).