propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C26H27FN4O5 — CID 59856736

IUPACpropan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(C(=O)c3ccccn3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C26H27FN4O5/c1-16(2)34-26(33)31-12-9-19(10-13-31)35-24-17(3)25(30-15-29-24)36-22-8-7-18(14-20(22)27)23(32)21-6-4-5-11-28-21/h4-8,11,14-16,19H,9-10,12-13H2,1-3H3
InChIKeyMZRJRANLKQTSCY-UHFFFAOYSA-N
MW494.52 g/mol
LogP4.73
Rot. Bonds7

About propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 59856736) has the molecular formula C26H27FN4O5 and a molecular weight of 494.52 g/mol. Its IUPAC name is propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID59856736
Molecular FormulaC26H27FN4O5
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Namepropan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(C(=O)c3ccccn3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C26H27FN4O5/c1-16(2)34-26(33)31-12-9-19(10-13-31)35-24-17(3)25(30-15-29-24)36-22-8-7-18(14-20(22)27)23(32)21-6-4-5-11-28-21/h4-8,11,14-16,19H,9-10,12-13H2,1-3H3
InChIKeyMZRJRANLKQTSCY-UHFFFAOYSA-N
XLogP4.73
TPSA103.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 59856736) is propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Oc2ccc(C(=O)c3ccccn3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is MZRJRANLKQTSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O5/c1-16(2)34-26(33)31-12-9-19(10-13-31)35-24-17(3)25(30-15-29-24)36-22-8-7-18(14-20(22)27)23(32)21-6-4-5-11-28-21/h4-8,11,14-16,19H,9-10,12-13H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 494.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[6-[2-fluoro-4-(pyridine-2-carbonyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 59856736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).