1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one

C23H29F3N6O3 — CID 59507524

IUPAC1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H29F3N6O3/c1-14(2)21(33)31-5-3-15(4-6-31)35-20-12-18(29-22(30-20)32-7-9-34-10-8-32)16-13-28-19(27)11-17(16)23(24,25)26/h11-15H,3-10H2,1-2H3,(H2,27,28)
InChIKeyZFLCAKIQACYOAW-UHFFFAOYSA-N
MW494.52 g/mol
LogP3.00
Rot. Bonds5

About 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one

1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 59507524) has the molecular formula C23H29F3N6O3 and a molecular weight of 494.52 g/mol. Its IUPAC name is 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
PubChem CID59507524
Molecular FormulaC23H29F3N6O3
Molecular Weight494.52 g/mol
Exact Mass494.23
IUPAC Name1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C23H29F3N6O3/c1-14(2)21(33)31-5-3-15(4-6-31)35-20-12-18(29-22(30-20)32-7-9-34-10-8-32)16-13-28-19(27)11-17(16)23(24,25)26/h11-15H,3-10H2,1-2H3,(H2,27,28)
InChIKeyZFLCAKIQACYOAW-UHFFFAOYSA-N
XLogP3.00
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one (CID 59507524) is 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(Oc2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is ZFLCAKIQACYOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6O3/c1-14(2)21(33)31-5-3-15(4-6-31)35-20-12-18(29-22(30-20)32-7-9-34-10-8-32)16-13-28-19(27)11-17(16)23(24,25)26/h11-15H,3-10H2,1-2H3,(H2,27,28).
What are the key properties of 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one?
1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 494.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 59507524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).