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

C22H29FN4O4 — CID 11362488

IUPACpropan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1nc(CCF)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C22H29FN4O4/c1-14(2)29-22(28)27-11-8-18(9-12-27)30-20-15(3)21(25-13-24-20)31-19-6-5-17(7-10-23)26-16(19)4/h5-6,13-14,18H,7-12H2,1-4H3
InChIKeyCGTLTGSMTRRXDP-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.18
Rot. Bonds7

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

propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 11362488) has the molecular formula C22H29FN4O4 and a molecular weight of 432.50 g/mol. Its IUPAC name is propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID11362488
Molecular FormulaC22H29FN4O4
Molecular Weight432.50 g/mol
Exact Mass432.22
IUPAC Namepropan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1nc(CCF)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C
InChIInChI=1S/C22H29FN4O4/c1-14(2)29-22(28)27-11-8-18(9-12-27)30-20-15(3)21(25-13-24-20)31-19-6-5-17(7-10-23)26-16(19)4/h5-6,13-14,18H,7-12H2,1-4H3
InChIKeyCGTLTGSMTRRXDP-UHFFFAOYSA-N
XLogP4.18
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 4-[5-methyl-6-[[2-methyl-6-(2-propan-2-yloxyethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856722
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981
propan-2-yl 4-[6-[2,3-difluoro-4-(2-methylsulfonylethyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856776
propan-2-yl 4-[6-[2-fluoro-4-(2-propan-2-yloxyethoxy)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11191059
propan-2-yl 4-[6-(3-fluoro-1-oxidopyridin-1-ium-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856747
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
propan-2-yl 4-[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11386126
propan-2-yl 4-[6-[2-fluoro-4-[2-(2-methylpropoxy)ethoxy]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856761
propan-2-yl 4-[6-[2-fluoro-4-(2-propan-2-yloxyethylcarbamoyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856823
propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700963
propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701216
propan-2-yl 4-[6-[2-fluoro-4-(2-pyrrolidin-1-ylethylcarbamoyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856705

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 11362488) is propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1nc(CCF)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C.
What is the InChIKey of propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is CGTLTGSMTRRXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4/c1-14(2)29-22(28)27-11-8-18(9-12-27)30-20-15(3)21(25-13-24-20)31-19-6-5-17(7-10-23)26-16(19)4/h5-6,13-14,18H,7-12H2,1-4H3.
What are the key properties of propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 4.18, 7 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-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 11362488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).