dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate

C26H32N4O4 — CID 58414747

IUPACdicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCc1ncccc1Oc1ncnc(OC2CC3CCC(C2)N3C(=O)OC(C2CC2)C2CC2)c1C
InChIInChI=1S/C26H32N4O4/c1-15-24(28-14-29-25(15)33-22-4-3-11-27-16(22)2)32-21-12-19-9-10-20(13-21)30(19)26(31)34-23(17-5-6-17)18-7-8-18/h3-4,11,14,17-21,23H,5-10,12-13H2,1-2H3
InChIKeyLMAIQACXNRHJNQ-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.98
Rot. Bonds7

About dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate

dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 58414747) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Namedicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID58414747
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Namedicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCc1ncccc1Oc1ncnc(OC2CC3CCC(C2)N3C(=O)OC(C2CC2)C2CC2)c1C
InChIInChI=1S/C26H32N4O4/c1-15-24(28-14-29-25(15)33-22-4-3-11-27-16(22)2)32-21-12-19-9-10-20(13-21)30(19)26(31)34-23(17-5-6-17)18-7-8-18/h3-4,11,14,17-21,23H,5-10,12-13H2,1-2H3
InChIKeyLMAIQACXNRHJNQ-UHFFFAOYSA-N
XLogP4.98
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

propyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414734
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-[[2-(3-chlorophenyl)-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414752
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
(1S,5S)-8-cyclopropylsulfonyl-3-[5-methyl-6-[[2-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane
CID 54581627
8-cyclopropylsulfonyl-3-[6-(1-hydroxy-2-methylpyridin-1-ium-3-yl)oxy-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane
CID 58414551
tert-butyl 3-[6-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414647
(3S,4S)-3-fluoro-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 71226914
2,2-dimethylpropyl 3-[6-(4-cyclopropylsulfonyl-2-fluorophenoxy)-5-methylpyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58415030
propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 44621891
2-methylpropyl 3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121195558
2-chloro-1-[3-[(3-methyl-2-pyridinyl)oxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 146404964

Frequently Asked Questions

What is the IUPAC name of dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 58414747) is dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate is Cc1ncccc1Oc1ncnc(OC2CC3CCC(C2)N3C(=O)OC(C2CC2)C2CC2)c1C.
What is the InChIKey of dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is LMAIQACXNRHJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-15-24(28-14-29-25(15)33-22-4-3-11-27-16(22)2)32-21-12-19-9-10-20(13-21)30(19)26(31)34-23(17-5-6-17)18-7-8-18/h3-4,11,14,17-21,23H,5-10,12-13H2,1-2H3.
What are the key properties of dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate?
dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclopropylmethyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 58414747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).