4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one

C17H22F3N5O4 — CID 126713476

IUPAC4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
SMILESO=C1c2c(c(C(F)(F)F)nn2CO)CCN1C1CCN(N2CCOCC2=O)CC1
InChIInChI=1S/C17H22F3N5O4/c18-17(19,20)15-12-3-6-23(16(28)14(12)24(10-26)21-15)11-1-4-22(5-2-11)25-7-8-29-9-13(25)27/h11,26H,1-10H2
InChIKeyBMPABZGLVOFNEN-UHFFFAOYSA-N
MW417.39 g/mol
LogP0.09
Rot. Bonds3

About 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one

4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (PubChem CID 126713476) has the molecular formula C17H22F3N5O4 and a molecular weight of 417.39 g/mol. Its IUPAC name is 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
PubChem CID126713476
Molecular FormulaC17H22F3N5O4
Molecular Weight417.39 g/mol
Exact Mass417.16
IUPAC Name4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
SMILESO=C1c2c(c(C(F)(F)F)nn2CO)CCN1C1CCN(N2CCOCC2=O)CC1
InChIInChI=1S/C17H22F3N5O4/c18-17(19,20)15-12-3-6-23(16(28)14(12)24(10-26)21-15)11-1-4-22(5-2-11)25-7-8-29-9-13(25)27/h11,26H,1-10H2
InChIKeyBMPABZGLVOFNEN-UHFFFAOYSA-N
XLogP0.09
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one with MolForge

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Related Compounds

(1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone
CID 97389023
(1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744857
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
4-[4-[7-Oxo-3-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one
CID 140788328
6-(2-Hydroxyethyl)-1-(4-methoxycyclohexyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 142943913
(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-morpholin-4-ylmethanone;ethane
CID 170766847
(5-ethyl-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-morpholin-4-ylmethanone
CID 170767529
(3-methyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-morpholin-4-ylmethanone
CID 178545176
[6-(cyclobutylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 97389024
(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-morpholin-4-ylmethanone
CID 170766848

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The IUPAC name of 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one (CID 126713476) is 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one.
What is the SMILES notation for 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The canonical SMILES for 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one is O=C1c2c(c(C(F)(F)F)nn2CO)CCN1C1CCN(N2CCOCC2=O)CC1.
What is the InChIKey of 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
The InChIKey is BMPABZGLVOFNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O4/c18-17(19,20)15-12-3-6-23(16(28)14(12)24(10-26)21-15)11-1-4-22(5-2-11)25-7-8-29-9-13(25)27/h11,26H,1-10H2.
What are the key properties of 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one?
4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one has a molecular weight of 417.39 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(hydroxymethyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]piperidin-1-yl]morpholin-3-one is sourced from PubChem (CID 126713476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).