propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C19H23FN4O4 — CID 57397675

IUPACpropan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2cncc(F)c2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C19H23FN4O4/c1-12(2)26-19(25)24-6-4-15(5-7-24)27-17-13(3)18(23-11-22-17)28-16-8-14(20)9-21-10-16/h8-12,15H,4-7H2,1-3H3
InChIKeyZUWGPGNNDQQCAD-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.50
Rot. Bonds5

About propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 57397675) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID57397675
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Namepropan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2cncc(F)c2)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C19H23FN4O4/c1-12(2)26-19(25)24-6-4-15(5-7-24)27-17-13(3)18(23-11-22-17)28-16-8-14(20)9-21-10-16/h8-12,15H,4-7H2,1-3H3
InChIKeyZUWGPGNNDQQCAD-UHFFFAOYSA-N
XLogP3.50
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 57397675) is propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Oc2cncc(F)c2)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is ZUWGPGNNDQQCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-12(2)26-19(25)24-6-4-15(5-7-24)27-17-13(3)18(23-11-22-17)28-16-8-14(20)9-21-10-16/h8-12,15H,4-7H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 390.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 57397675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).