5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one

C19H21F3N4O3 — CID 58508094

IUPAC5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)cc(N3CCOCC3)n2)c[nH]1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)15-11-18(27)23-12-14(15)16-9-13(25-1-5-28-6-2-25)10-17(24-16)26-3-7-29-8-4-26/h9-12H,1-8H2,(H,23,27)
InChIKeyQPJGICMSDMPZOZ-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.13
Rot. Bonds3

About 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one

5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 58508094) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID58508094
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)cc(N3CCOCC3)n2)c[nH]1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)15-11-18(27)23-12-14(15)16-9-13(25-1-5-28-6-2-25)10-17(24-16)26-3-7-29-8-4-26/h9-12H,1-8H2,(H,23,27)
InChIKeyQPJGICMSDMPZOZ-UHFFFAOYSA-N
XLogP2.13
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4,6-dimorpholin-4-yl-2-pyridinyl)-6-(trifluoromethyl)-2-pyridinyl]acetamide
CID 58508127
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-(4,6-dimorpholin-4-yl-2-pyridinyl)pyridin-3-ol
CID 58507745
N-[2-[(3S)-3,4-dimethylpiperazin-1-yl]-4-fluoro-5-(6-morpholin-4-yl-2-pyridinyl)phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138551527
5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428513
4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 171334664
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
CID 162764791
2-methyl-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135592113
2-chloro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 137130492
3-(2-morpholin-4-yl-4-pyridinyl)-1,6-dihydropyrazolo[3,4-c]pyridin-5-one
CID 144795365
4-[2-methyl-6-[2-methyl-4-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]morpholine
CID 143514854

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one (CID 58508094) is 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)cc(N3CCOCC3)n2)c[nH]1.
What is the InChIKey of 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is QPJGICMSDMPZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c20-19(21,22)15-11-18(27)23-12-14(15)16-9-13(25-1-5-28-6-2-25)10-17(24-16)26-3-7-29-8-4-26/h9-12H,1-8H2,(H,23,27).
What are the key properties of 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one?
5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 410.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimorpholin-4-yl-2-pyridinyl)-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 58508094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).