propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C25H27FN4O4 — CID 11225091

IUPACpropan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(-c3ccncc3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C25H27FN4O4/c1-16(2)32-25(31)30-12-8-20(9-13-30)33-23-17(3)24(29-15-28-23)34-22-5-4-19(14-21(22)26)18-6-10-27-11-7-18/h4-7,10-11,14-16,20H,8-9,12-13H2,1-3H3
InChIKeyKJILYXWVLTZHIG-UHFFFAOYSA-N
MW466.51 g/mol
LogP5.17
Rot. Bonds6

About propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 11225091) has the molecular formula C25H27FN4O4 and a molecular weight of 466.51 g/mol. Its IUPAC name is propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID11225091
Molecular FormulaC25H27FN4O4
Molecular Weight466.51 g/mol
Exact Mass466.20
IUPAC Namepropan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(-c3ccncc3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C25H27FN4O4/c1-16(2)32-25(31)30-12-8-20(9-13-30)33-23-17(3)24(29-15-28-23)34-22-5-4-19(14-21(22)26)18-6-10-27-11-7-18/h4-7,10-11,14-16,20H,8-9,12-13H2,1-3H3
InChIKeyKJILYXWVLTZHIG-UHFFFAOYSA-N
XLogP5.17
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.51
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Isopropyl 4-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 16036825
1-(4-(((6-Amino-5-(4-(pyridin-4-yloxy)phenyl)pyrimidin-4-yl)amino)methyl)piperidin-1-yl)prop-2-en-1-one
CID 86721788
2-(1-(6-(2-Ethylphenoxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 25026090
5-Fluoro-2-(1-(6-(p-tolyloxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 46879672
5-Fluoro-2-(1-(6-(o-tolyloxy)pyrimidin-4-yl)piperidin-4-yloxy)pyrimidin-4-amine
CID 46879673
2-(1-(6-(Biphenyl-2-yloxy)pyrimidin-4-yl)piperidin-4-yloxy)-5-fluoropyrimidin-4-amine
CID 46879717
Propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57397674
Propan-2-yl 4-[6-[(5-fluoro-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57397675
Tert-butyl 4-[5-[4-(cyanomethoxy)phenyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 70688972
5-{2-Fluoro-4-[2-(1-methylethoxy)pyridin-3-yl]phenyl}pyrimidin-2-amine
CID 90312795
5-{2-Fluoro-4-[2-(tetrahydro-2H-pyran-4-yloxy)pyridin-3-yl]phenyl}pyrimidin-2-amine
CID 90314011
N-[4-[5-[1-(2-fluorophenoxy)ethyl]-3-pyridinyl]-2-pyridinyl]-2-methylpyrimidin-4-amine
CID 118249362

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 11225091) is propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Oc2ccc(-c3ccncc3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is KJILYXWVLTZHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O4/c1-16(2)32-25(31)30-12-8-20(9-13-30)33-23-17(3)24(29-15-28-23)34-22-5-4-19(14-21(22)26)18-6-10-27-11-7-18/h4-7,10-11,14-16,20H,8-9,12-13H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 466.51 g/mol, XLogP of 5.17, 6 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-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 11225091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).