5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C22H21N7O3 — CID 56944030

IUPAC5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c(OC)n1
InChIInChI=1S/C22H21N7O3/c1-30-17-7-5-15(18(27-17)31-2)19-28-20(29-32-19)22(8-3-9-22)14-4-6-16(24-12-14)13-10-25-21(23)26-11-13/h4-7,10-12H,3,8-9H2,1-2H3,(H2,23,25,26)
InChIKeyPAJMUQHNRZFRQN-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.05
Rot. Bonds6

About 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56944030) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56944030
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c(OC)n1
InChIInChI=1S/C22H21N7O3/c1-30-17-7-5-15(18(27-17)31-2)19-28-20(29-32-19)22(8-3-9-22)14-4-6-16(24-12-14)13-10-25-21(23)26-11-13/h4-7,10-12H,3,8-9H2,1-2H3,(H2,23,25,26)
InChIKeyPAJMUQHNRZFRQN-UHFFFAOYSA-N
XLogP3.05
TPSA134.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-6-phenyl-3-[5-(pyridin-3-yl)-1,2,4-oxadiazol-3-yl]pyridine
CID 663734
3-(2-Methoxy-6-methylpyridin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 913807
3-[2-Methoxy-6-(4-methylphenyl)-3-pyridinyl]-5-(3-pyridinyl)-1,2,4-oxadiazole
CID 654290
3-(2-Ethoxy-6-phenylpyridin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 653342
5-(3-Methyl-[1,2,4]oxadiazol-5-yl)-2-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine
CID 42630045
5-[5-[1-[5-(2-Methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943735
5-[5-[1-[5-(4-Methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943737
5-[5-[1-[5-(4-Chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943833
5-[5-[1-[5-(6-Morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943835
5-[5-[1-[5-[6-(Ethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943836
5-[5-[1-[5-[6-(Cyclopropylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943931
1-[[5-[3-[1-[6-(2-Aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol
CID 56944027

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56944030) is 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is COc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c(OC)n1.
What is the InChIKey of 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is PAJMUQHNRZFRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-30-17-7-5-15(18(27-17)31-2)19-28-20(29-32-19)22(8-3-9-22)14-4-6-16(24-12-14)13-10-25-21(23)26-11-13/h4-7,10-12H,3,8-9H2,1-2H3,(H2,23,25,26).
What are the key properties of 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 431.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(2,6-dimethoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56944030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).