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

C24H30FN3O5 — CID 11190377

IUPACpropan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(CC3(O)CC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C24H30FN3O5/c1-15(2)31-23(29)28-10-6-18(7-11-28)32-21-16(3)22(27-14-26-21)33-20-5-4-17(12-19(20)25)13-24(30)8-9-24/h4-5,12,14-15,18,30H,6-11,13H2,1-3H3
InChIKeyIPDOEFHZTJEYFN-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.17
Rot. Bonds7

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

propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 11190377) has the molecular formula C24H30FN3O5 and a molecular weight of 459.52 g/mol. Its IUPAC name is propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID11190377
Molecular FormulaC24H30FN3O5
Molecular Weight459.52 g/mol
Exact Mass459.22
IUPAC Namepropan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(CC3(O)CC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1
InChIInChI=1S/C24H30FN3O5/c1-15(2)31-23(29)28-10-6-18(7-11-28)32-21-16(3)22(27-14-26-21)33-20-5-4-17(12-19(20)25)13-24(30)8-9-24/h4-5,12,14-15,18,30H,6-11,13H2,1-3H3
InChIKeyIPDOEFHZTJEYFN-UHFFFAOYSA-N
XLogP4.17
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Related Compounds

(Z)-tert-Butyl 4-((6-(4-((2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)-5-methylpyrimidin-4-yl)oxy)piperidine-1-carboxylate
CID 56960507
(1-Methylcyclopropyl) 9-[5-fluoro-6-(2-fluorophenoxy)pyrimidin-4-yl]oxy-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 68036918
Tert-butyl 4-[5-[4-(cyanomethoxy)phenyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 70688972
Propan-2-yl 6-[6-(4-cyano-2-fluorophenoxy)-5-methylpyrimidin-4-yl]-2,6-diazatricyclo[3.3.1.13,7]decane-2-carboxylate
CID 71546701
4-(2,4-Diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
CID 46953483
Ethyl 4-[6-(4-fluoro-2-methylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 91634842
4-methoxy-6-[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine;2,2,2-trifluoroacetic acid
CID 127021735
4-methoxy-6-[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]pyrimidine;2,2,2-trifluoroacetic acid
CID 127022770
Propan-2-yl 4-[6-(2-fluoro-4-phenylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11155528
4-{6-[2-Fluoro-4-(2-isopropoxy-ethoxy)-phenoxy]-5-methyl-pyrimidin-4-yloxy}-piperidine-1-carboxylic Acid Isopropyl Ester
CID 11191059
Propan-2-yl 4-[6-(4-cyano-2-fluorophenoxy)-5-ethynylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11212412
Propan-2-yl 4-[6-(2-fluoro-4-pyridin-4-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11225091

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 11190377) is propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Oc2ccc(CC3(O)CC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is IPDOEFHZTJEYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O5/c1-15(2)31-23(29)28-10-6-18(7-11-28)32-21-16(3)22(27-14-26-21)33-20-5-4-17(12-19(20)25)13-24(30)8-9-24/h4-5,12,14-15,18,30H,6-11,13H2,1-3H3.
What are the key properties of propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[6-[2-fluoro-4-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 459.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 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-[(1-hydroxycyclopropyl)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 11190377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).