5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole

C23H30N6O2 — CID 70875077

IUPAC5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole
SMILESCc1ncccc1Oc1ncnc(N2C3CC[C@@H]2CC(C2=NC(C(C)C)NO2)C3)c1C
InChIInChI=1S/C23H30N6O2/c1-13(2)20-27-23(31-28-20)16-10-17-7-8-18(11-16)29(17)21-14(3)22(26-12-25-21)30-19-6-5-9-24-15(19)4/h5-6,9,12-13,16-18,20,28H,7-8,10-11H2,1-4H3/t16?,17-,18?,20?/m1/s1
InChIKeyCNHQYTDEUPUHNS-PLKGECRYSA-N
MW422.53 g/mol
LogP3.94
Rot. Bonds5

About 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole

5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole (PubChem CID 70875077) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole
PubChem CID70875077
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole
SMILESCc1ncccc1Oc1ncnc(N2C3CC[C@@H]2CC(C2=NC(C(C)C)NO2)C3)c1C
InChIInChI=1S/C23H30N6O2/c1-13(2)20-27-23(31-28-20)16-10-17-7-8-18(11-16)29(17)21-14(3)22(26-12-25-21)30-19-6-5-9-24-15(19)4/h5-6,9,12-13,16-18,20,28H,7-8,10-11H2,1-4H3/t16?,17-,18?,20?/m1/s1
InChIKeyCNHQYTDEUPUHNS-PLKGECRYSA-N
XLogP3.94
TPSA84.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole (CID 70875077) is 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole is Cc1ncccc1Oc1ncnc(N2C3CC[C@@H]2CC(C2=NC(C(C)C)NO2)C3)c1C.
What is the InChIKey of 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole?
The InChIKey is CNHQYTDEUPUHNS-PLKGECRYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-13(2)20-27-23(31-28-20)16-10-17-7-8-18(11-16)29(17)21-14(3)22(26-12-25-21)30-19-6-5-9-24-15(19)4/h5-6,9,12-13,16-18,20,28H,7-8,10-11H2,1-4H3/t16?,17-,18?,20?/m1/s1.
What are the key properties of 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole?
5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole has a molecular weight of 422.53 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R)-8-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-2,3-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 70875077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).