potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate

C48H66ClKN8O9 — CID 157453679

IUPACpotassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate
SMILESCC(C)(C)OC(=O)N1CC2CC1[C@@H](O)C2.CC(C)(C)[O-].Cc1ncccc1Oc1ncnc(Cl)c1C.Cc1ncccc1Oc1ncnc(O[C@H]2CC3CC2N(C(=O)OC(C)(C)C)C3)c1C.[K+]
InChIInChI=1S/C22H28N4O4.C11H10ClN3O.C11H19NO3.C4H9O.K/c1-13-19(28-17-7-6-8-23-14(17)2)24-12-25-20(13)29-18-10-15-9-16(18)26(11-15)21(27)30-22(3,4)5;1-7-10(12)14-6-15-11(7)16-9-4-3-5-13-8(9)2;1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7;1-4(2,3)5;/h6-8,12,15-16,18H,9-11H2,1-5H3;3-6H,1-2H3;7-9,13H,4-6H2,1-3H3;1-3H3;/q;;;-1;+1/t15?,16?,18-;;7?,8?,9-;;/m0.0../s1
InChIKeyBTCFGOJCLHODDL-LFJVUZBZSA-N
MW973.65 g/mol
LogP5.52
Rot. Bonds6

About potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate

potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate (PubChem CID 157453679) has the molecular formula C48H66ClKN8O9 and a molecular weight of 973.65 g/mol. Its IUPAC name is potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate
PubChem CID157453679
Molecular FormulaC48H66ClKN8O9
Molecular Weight973.65 g/mol
Exact Mass972.43
IUPAC Namepotassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate
SMILESCC(C)(C)OC(=O)N1CC2CC1[C@@H](O)C2.CC(C)(C)[O-].Cc1ncccc1Oc1ncnc(Cl)c1C.Cc1ncccc1Oc1ncnc(O[C@H]2CC3CC2N(C(=O)OC(C)(C)C)C3)c1C.[K+]
InChIInChI=1S/C22H28N4O4.C11H10ClN3O.C11H19NO3.C4H9O.K/c1-13-19(28-17-7-6-8-23-14(17)2)24-12-25-20(13)29-18-10-15-9-16(18)26(11-15)21(27)30-22(3,4)5;1-7-10(12)14-6-15-11(7)16-9-4-3-5-13-8(9)2;1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7;1-4(2,3)5;/h6-8,12,15-16,18H,9-11H2,1-5H3;3-6H,1-2H3;7-9,13H,4-6H2,1-3H3;1-3H3;/q;;;-1;+1/t15?,16?,18-;;7?,8?,9-;;/m0.0../s1
InChIKeyBTCFGOJCLHODDL-LFJVUZBZSA-N
XLogP5.52
TPSA207.40 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500973.65
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate;bis(tert-butyl 2-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-7-azabicyclo[2.2.1]heptane-7-carboxylate);4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine
CID 157104411
tert-butyl (2S)-2-(6-chloro-5-methylpyrimidin-4-yl)oxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 58414630
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[(2-methyl-3-pyridinyl)oxy]pyrrolidine-2-carboxylic acid
CID 24902741
tert-butyl 3-[6-[[2-(3-chlorophenyl)-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414752
tert-butyl 6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 118876498
dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414747
tert-butyl (1S,4R,6S)-6-[[4-[(4-chlorophenyl)methylsulfanyl]-1,2,5-thiadiazol-3-yl]oxy]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 15479633
(3S,4S)-3-fluoro-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 71226914
propyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414734
tert-butyl 4-(6-chloro-5-methylpyrimidin-4-yl)oxypiperidine-1-carboxylate;tert-butyl 4-[6-(4-cyclopropylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate;4-cyclopropylsulfonylphenol
CID 161197202
8-cyclopropylsulfonyl-3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]oct-6-ene
CID 58415079
tert-butyl 3-[6-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414647

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate?
The IUPAC name of potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate (CID 157453679) is potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate.
What is the SMILES notation for potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate?
The canonical SMILES for potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate is CC(C)(C)OC(=O)N1CC2CC1[C@@H](O)C2.CC(C)(C)[O-].Cc1ncccc1Oc1ncnc(Cl)c1C.Cc1ncccc1Oc1ncnc(O[C@H]2CC3CC2N(C(=O)OC(C)(C)C)C3)c1C.[K+].
What is the InChIKey of potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate?
The InChIKey is BTCFGOJCLHODDL-LFJVUZBZSA-N. The full InChI is InChI=1S/C22H28N4O4.C11H10ClN3O.C11H19NO3.C4H9O.K/c1-13-19(28-17-7-6-8-23-14(17)2)24-12-25-20(13)29-18-10-15-9-16(18)26(11-15)21(27)30-22(3,4)5;1-7-10(12)14-6-15-11(7)16-9-4-3-5-13-8(9)2;1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7;1-4(2,3)5;/h6-8,12,15-16,18H,9-11H2,1-5H3;3-6H,1-2H3;7-9,13H,4-6H2,1-3H3;1-3H3;/q;;;-1;+1/t15?,16?,18-;;7?,8?,9-;;/m0.0../s1.
What are the key properties of potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate?
potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate has a molecular weight of 973.65 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;tert-butyl (6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;tert-butyl (6S)-6-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylate;4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidine;2-methylpropan-2-olate is sourced from PubChem (CID 157453679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).