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

C25H28N8O2 — CID 56839757

IUPAC2-[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
SMILESCNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)cn1
InChIInChI=1S/C25H28N8O2/c1-25(20-9-10-20,19-7-5-16(6-8-19)17-11-27-24(26-2)28-12-17)23-30-22(35-31-23)18-13-29-33(14-18)15-21(34)32(3)4/h5-8,11-14,20H,9-10,15H2,1-4H3,(H,26,27,28)/t25-/m0/s1
InChIKeyRSBXBWGJEUGOFA-VWLOTQADSA-N
MW472.55 g/mol
LogP3.24
Rot. Bonds8

About 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

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 (PubChem CID 56839757) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID56839757
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name2-[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
SMILESCNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)cn1
InChIInChI=1S/C25H28N8O2/c1-25(20-9-10-20,19-7-5-16(6-8-19)17-11-27-24(26-2)28-12-17)23-30-22(35-31-23)18-13-29-33(14-18)15-21(34)32(3)4/h5-8,11-14,20H,9-10,15H2,1-4H3,(H,26,27,28)/t25-/m0/s1
InChIKeyRSBXBWGJEUGOFA-VWLOTQADSA-N
XLogP3.24
TPSA114.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cc2)cn1.
What is the InChIKey of 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?
The InChIKey is RSBXBWGJEUGOFA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-25(20-9-10-20,19-7-5-16(6-8-19)17-11-27-24(26-2)28-12-17)23-30-22(35-31-23)18-13-29-33(14-18)15-21(34)32(3)4/h5-8,11-14,20H,9-10,15H2,1-4H3,(H,26,27,28)/t25-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 472.55 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 56839757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).