tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

C23H30N4O6S — CID 58487743

IUPACtert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H30N4O6S/c1-15-20(31-16-9-11-27(12-10-16)22(28)33-23(2,3)4)25-14-26-21(15)32-17-5-8-19(24-13-17)34(29,30)18-6-7-18/h5,8,13-14,16,18H,6-7,9-12H2,1-4H3
InChIKeyAFIFVMOQAMULAQ-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.69
Rot. Bonds6

About tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate

tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 58487743) has the molecular formula C23H30N4O6S and a molecular weight of 490.58 g/mol. Its IUPAC name is tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID58487743
Molecular FormulaC23H30N4O6S
Molecular Weight490.58 g/mol
Exact Mass490.19
IUPAC Nametert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H30N4O6S/c1-15-20(31-16-9-11-27(12-10-16)22(28)33-23(2,3)4)25-14-26-21(15)32-17-5-8-19(24-13-17)34(29,30)18-6-7-18/h5,8,13-14,16,18H,6-7,9-12H2,1-4H3
InChIKeyAFIFVMOQAMULAQ-UHFFFAOYSA-N
XLogP3.69
TPSA120.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-Methylcyclopropyl 4-(5-Fluoro-6-(2-methyl-6-(methylsulfonyl)pyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 66574514
Isopropyl 4-(5-methyl-6-(2-methylpyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 16036825
tert-Butyl 4-(5-Fluoro-6-(2-methyl-6-(methylsulfonyl)pyridin-3-yloxy)pyrimidin-4-yloxy)piperidine-1-carboxylate
CID 86709924
Propan-2-yl 4-[5-methyl-6-[(4-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57392379
Propan-2-yl 4-[5-methyl-6-[(4-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57397674
Propan-2-yl 4-[5-methyl-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57399344
(1R,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]oct-6-ene
CID 76324302
Propan-2-yl 4-[5-fluoro-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 118711211
Cyclobutyl 4-[5-fluoro-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 118711212
(1,1,1-Trifluoro-2-methylpropan-2-yl) 4-[5-fluoro-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 118711213
2-Cyanopropan-2-yl 4-[5-fluoro-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 118711214
(1-Fluoro-2-methylpropan-2-yl) 4-[5-fluoro-6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 118711215

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 58487743) is tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is Cc1c(Oc2ccc(S(=O)(=O)C3CC3)nc2)ncnc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is AFIFVMOQAMULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S/c1-15-20(31-16-9-11-27(12-10-16)22(28)33-23(2,3)4)25-14-26-21(15)32-17-5-8-19(24-13-17)34(29,30)18-6-7-18/h5,8,13-14,16,18H,6-7,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate?
tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 490.58 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-[(6-cyclopropylsulfonyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 58487743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).