[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate

C23H30FN5O4 — CID 175525188

IUPAC[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate
SMILESCCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CCC(COC(N)=O)CC1)C(C)C
InChIInChI=1S/C23H30FN5O4/c1-4-29(15(2)3)22(30)18-11-17(24)5-6-19(18)33-20-12-26-14-27-21(20)28-9-7-16(8-10-28)13-32-23(25)31/h5-6,11-12,14-16H,4,7-10,13H2,1-3H3,(H2,25,31)
InChIKeyASZZYQYNJOVULL-UHFFFAOYSA-N
MW459.52 g/mol
LogP3.59
Rot. Bonds8

About [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate

[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate (PubChem CID 175525188) has the molecular formula C23H30FN5O4 and a molecular weight of 459.52 g/mol. Its IUPAC name is [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate
PubChem CID175525188
Molecular FormulaC23H30FN5O4
Molecular Weight459.52 g/mol
Exact Mass459.23
IUPAC Name[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate
SMILESCCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CCC(COC(N)=O)CC1)C(C)C
InChIInChI=1S/C23H30FN5O4/c1-4-29(15(2)3)22(30)18-11-17(24)5-6-19(18)33-20-12-26-14-27-21(20)28-9-7-16(8-10-28)13-32-23(25)31/h5-6,11-12,14-16H,4,7-10,13H2,1-3H3,(H2,25,31)
InChIKeyASZZYQYNJOVULL-UHFFFAOYSA-N
XLogP3.59
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-1-[5-[2-[di(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]pyrrolidin-3-yl]methyl carbamate
CID 175525068
2-[4-[4-(aminomethyl)-4-hydroxypiperidin-1-yl]pyrimidin-5-yl]oxy-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 167204893
[(3R)-1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-3-yl]methyl N-tert-butylcarbamate
CID 175525176
2-[4-[3-(aminomethyl)-3-methylazetidin-1-yl]pyrimidin-5-yl]oxy-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 166150738
N-ethyl-5-fluoro-2-(4-methylpyrimidin-5-yl)oxy-N-propan-2-ylbenzamide
CID 176925217
[(3S,4S)-1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]-4-fluoropyrrolidin-3-yl]methylcarbamic acid
CID 175831538
N-ethyl-5-fluoro-N-propan-2-yl-2-[4-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yloxy)piperidin-1-yl]pyrimidin-5-yl]oxybenzamide
CID 176924559
N-ethyl-2-[4-[(3S)-3-[[6-(ethylsulfonylamino)-2-azaspiro[3.3]heptan-2-yl]methyl]pyrrolidin-1-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-ylbenzamide
CID 172794202
[4-[[4-[[[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]amino]methyl]piperidin-1-yl]methyl]cyclohexyl] carbamate
CID 175525204
N-ethyl-5-fluoro-2-[4-[3-[1-[[4-(methanesulfonamido)cyclohexyl]methyl]piperidin-4-ylidene]azetidin-1-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 172557980
N-ethyl-5-fluoro-2-[4-[3-[1-[[4-(methanesulfinamido)cyclohexyl]methyl]piperidin-4-yl]azetidin-1-yl]pyrimidin-5-yl]oxy-N-propan-2-ylbenzamide
CID 172558005
N-ethyl-2-[4-[7-[[4-(ethylsulfonylamino)cyclohexyl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N-propan-2-ylbenzamide;hydrochloride
CID 138611777

Frequently Asked Questions

What is the IUPAC name of [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate (CID 175525188) is [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate is CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CCC(COC(N)=O)CC1)C(C)C.
What is the InChIKey of [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate?
The InChIKey is ASZZYQYNJOVULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O4/c1-4-29(15(2)3)22(30)18-11-17(24)5-6-19(18)33-20-12-26-14-27-21(20)28-9-7-16(8-10-28)13-32-23(25)31/h5-6,11-12,14-16H,4,7-10,13H2,1-3H3,(H2,25,31).
What are the key properties of [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate?
[1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate has a molecular weight of 459.52 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175525188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).