5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C22H25N9O — CID 66824588

IUPAC5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)(N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C22H25N9O/c1-21(2,24)13-31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(23)27-9-14/h4-5,8-12H,3,6-7,13,24H2,1-2H3,(H2,23,26,27)
InChIKeyFYXBWHLOIFRYBO-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.57
Rot. Bonds6

About 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66824588) has the molecular formula C22H25N9O and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66824588
Molecular FormulaC22H25N9O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)(N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C22H25N9O/c1-21(2,24)13-31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(23)27-9-14/h4-5,8-12H,3,6-7,13,24H2,1-2H3,(H2,23,26,27)
InChIKeyFYXBWHLOIFRYBO-UHFFFAOYSA-N
XLogP2.57
TPSA147.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825819
1-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 66824640
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]prop-2-en-1-ol
CID 66828289
5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 66780354
2-[4-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 66828227
5-[5-[1-[5-(6-methylsulfanyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 71040651
5-[5-[1-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943738
2-[4-[3-[1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 66828240
[4-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 123798298
5-[5-[1-[5-[6-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944423
5-[5-[1-[5-(5-methyl-2H-pyrrol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 157296478
5-[5-[1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943736

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66824588) is 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CC(C)(N)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is FYXBWHLOIFRYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9O/c1-21(2,24)13-31-12-15(10-28-31)18-29-19(30-32-18)22(6-3-7-22)16-4-5-17(25-11-16)14-8-26-20(23)27-9-14/h4-5,8-12H,3,6-7,13,24H2,1-2H3,(H2,23,26,27).
What are the key properties of 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 431.50 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66824588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).