5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine

C22H22N8O2 — CID 56952861

IUPAC5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESC[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CC1
InChIInChI=1S/C22H22N8O2/c1-22(15-2-3-15,16-4-5-18(24-9-16)13-6-25-21(23)26-7-13)20-28-19(32-29-20)14-8-27-30(10-14)17-11-31-12-17/h4-10,15,17H,2-3,11-12H2,1H3,(H2,23,25,26)/t22-/m1/s1
InChIKeyYLRZEBDQTLQUQM-JOCHJYFZSA-N
MW430.47 g/mol
LogP2.65
Rot. Bonds6

About 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56952861) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56952861
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine
SMILESC[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CC1
InChIInChI=1S/C22H22N8O2/c1-22(15-2-3-15,16-4-5-18(24-9-16)13-6-25-21(23)26-7-13)20-28-19(32-29-20)14-8-27-30(10-14)17-11-31-12-17/h4-10,15,17H,2-3,11-12H2,1H3,(H2,23,25,26)/t22-/m1/s1
InChIKeyYLRZEBDQTLQUQM-JOCHJYFZSA-N
XLogP2.65
TPSA130.66 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine (CID 56952861) is 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine is C[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CC1.
What is the InChIKey of 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is YLRZEBDQTLQUQM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-22(15-2-3-15,16-4-5-18(24-9-16)13-6-25-21(23)26-7-13)20-28-19(32-29-20)14-8-27-30(10-14)17-11-31-12-17/h4-10,15,17H,2-3,11-12H2,1H3,(H2,23,25,26)/t22-/m1/s1.
What are the key properties of 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 430.47 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56952861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).