5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine

C22H23N7O — CID 56837376

IUPAC5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1
InChIInChI=1S/C22H23N7O/c1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t22-/m0/s1
InChIKeyDBGVUJWUDNGOBJ-QFIPXVFZSA-N
MW401.47 g/mol
LogP3.62
Rot. Bonds5

About 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine

5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine (PubChem CID 56837376) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
PubChem CID56837376
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
SMILESCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1
InChIInChI=1S/C22H23N7O/c1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t22-/m0/s1
InChIKeyDBGVUJWUDNGOBJ-QFIPXVFZSA-N
XLogP3.62
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]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

BI 665915
CID 66764813
2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butyl-N-methylacetamide
CID 56848995
3-[4-[3-[1-[4-(2-Aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]propanenitrile
CID 137647618
1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 56838673
5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
CID 56838888
2-[4-[3-[(1R)-1-cyclopropyl-1-[4-[2-(methylamino)pyrimidin-5-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 56839757
2-[4-[3-[1-cyclopropyl-1-[4-[2-(ethylamino)pyrimidin-5-yl]phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 56840400
5-[4-[1-[5-[1-(Oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848512
5-[4-[1-(5-Pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848702
5-[4-[1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848769
5-[4-[1-[5-(1-Methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclopropyl]phenyl]pyrimidin-2-amine
CID 56849238
5-[5-[1-[5-[1-(2-Methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944231

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine (CID 56837376) is 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine is Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1.
What is the InChIKey of 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?
The InChIKey is DBGVUJWUDNGOBJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H23N7O/c1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t22-/m0/s1.
What are the key properties of 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?
5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine has a molecular weight of 401.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1S)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56837376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).