5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine

C23H25N7O2 — CID 56952561

IUPAC5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine
SMILESCC(C)[C@](C)(c1ccc(-c2ccc(N)nc2)nc1)c1noc(-c2cnn(C3COC3)c2)n1
InChIInChI=1S/C23H25N7O2/c1-14(2)23(3,17-5-6-19(25-10-17)15-4-7-20(24)26-8-15)22-28-21(32-29-22)16-9-27-30(11-16)18-12-31-13-18/h4-11,14,18H,12-13H2,1-3H3,(H2,24,26)/t23-/m1/s1
InChIKeyGVCWIBBQUUEITF-HSZRJFAPSA-N
MW431.50 g/mol
LogP3.51
Rot. Bonds6

About 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine

5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 56952561) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine
PubChem CID56952561
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine
SMILESCC(C)[C@](C)(c1ccc(-c2ccc(N)nc2)nc1)c1noc(-c2cnn(C3COC3)c2)n1
InChIInChI=1S/C23H25N7O2/c1-14(2)23(3,17-5-6-19(25-10-17)15-4-7-20(24)26-8-15)22-28-21(32-29-22)16-9-27-30(11-16)18-12-31-13-18/h4-11,14,18H,12-13H2,1-3H3,(H2,24,26)/t23-/m1/s1
InChIKeyGVCWIBBQUUEITF-HSZRJFAPSA-N
XLogP3.51
TPSA117.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine (CID 56952561) is 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine is CC(C)[C@](C)(c1ccc(-c2ccc(N)nc2)nc1)c1noc(-c2cnn(C3COC3)c2)n1.
What is the InChIKey of 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is GVCWIBBQUUEITF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-14(2)23(3,17-5-6-19(25-10-17)15-4-7-20(24)26-8-15)22-28-21(32-29-22)16-9-27-30(11-16)18-12-31-13-18/h4-11,14,18H,12-13H2,1-3H3,(H2,24,26)/t23-/m1/s1.
What are the key properties of 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine?
5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 431.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 56952561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).