2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

C23H25N9O2 — CID 56952361

IUPAC2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C23H25N9O2/c1-23(15-4-5-15,16-6-7-17(25-9-16)18-10-27-19(24)11-26-18)22-29-21(34-30-22)14-8-28-32(12-14)13-20(33)31(2)3/h6-12,15H,4-5,13H2,1-3H3,(H2,24,27)/t23-/m1/s1
InChIKeySGBZEMIPVXVUSG-HSZRJFAPSA-N
MW459.51 g/mol
LogP2.17
Rot. Bonds7

About 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 56952361) has the molecular formula C23H25N9O2 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID56952361
Molecular FormulaC23H25N9O2
Molecular Weight459.51 g/mol
Exact Mass459.21
IUPAC Name2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C23H25N9O2/c1-23(15-4-5-15,16-6-7-17(25-9-16)18-10-27-19(24)11-26-18)22-29-21(34-30-22)14-8-28-32(12-14)13-20(33)31(2)3/h6-12,15H,4-5,13H2,1-3H3,(H2,24,27)/t23-/m1/s1
InChIKeySGBZEMIPVXVUSG-HSZRJFAPSA-N
XLogP2.17
TPSA141.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 56952361) is 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.
What is the InChIKey of 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is SGBZEMIPVXVUSG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H25N9O2/c1-23(15-4-5-15,16-6-7-17(25-9-16)18-10-27-19(24)11-26-18)22-29-21(34-30-22)14-8-28-32(12-14)13-20(33)31(2)3/h6-12,15H,4-5,13H2,1-3H3,(H2,24,27)/t23-/m1/s1.
What are the key properties of 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 459.51 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 56952361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).