1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C115H133N41O10 — CID 157337777

About 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine

1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 157337777) has the molecular formula C115H133N41O10 and a molecular weight of 2249.61 g/mol. Its IUPAC name is 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 157337777
• Molecular Formula: C115H133N41O10
• Molecular Weight: 2249.61 g/mol
• Exact Mass: 2248.12
• IUPAC Name: 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: CC(C)(C)NC(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.CC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.COCCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
• InChI: InChI=1S/C25H29N9O2.2C23H26N8O2.2C22H26N8O2/c1-24(2,3)32-20(35)14-34-13-16(11-30-34)21-31-22(33-36-21)25(4,17-5-6-17)18-7-8-19(27-12-18)15-9-28-23(26)29-10-15;2*1-22(2,32)13-31-12-14(8-28-31)20-29-21(30-33-20)23(3,15-4-5-15)16-6-7-17(25-9-16)18-10-27-19(24)11-26-18;2*1-14(2)22(3,17-5-6-18(24-12-17)15-9-25-21(23)26-10-15)20-28-19(32-29-20)16-11-27-30(13-16)7-8-31-4/h7-13,17H,5-6,14H2,1-4H3,(H,32,35)(H2,26,28,29);2*6-12,15,32H,4-5,13H2,1-3H3,(H2,24,27);2*5-6,9-14H,7-8H2,1-4H3,(H2,23,25,26)/t25-;2*23-;2*22-/m11010/s1
• InChIKey: BGARZFUIZBBYFX-BAEZQMLZSA-N
• XLogP: 14.66
• TPSA: 695.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 50
• Rotatable Bonds: 37
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2249.61
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 157337777) is 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)(C)NC(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.CC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.COCCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.

What is the InChIKey of 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is BGARZFUIZBBYFX-BAEZQMLZSA-N. The full InChI is InChI=1S/C25H29N9O2.2C23H26N8O2.2C22H26N8O2/c1-24(2,3)32-20(35)14-34-13-16(11-30-34)21-31-22(33-36-21)25(4,17-5-6-17)18-7-8-19(27-12-18)15-9-28-23(26)29-10-15;2*1-22(2,32)13-31-12-14(8-28-31)20-29-21(30-33-20)23(3,15-4-5-15)16-6-7-17(25-9-16)18-10-27-19(24)11-26-18;2*1-14(2)22(3,17-5-6-18(24-12-17)15-9-25-21(23)26-10-15)20-28-19(32-29-20)16-11-27-30(13-16)7-8-31-4/h7-13,17H,5-6,14H2,1-4H3,(H,32,35)(H2,26,28,29);2*6-12,15,32H,4-5,13H2,1-3H3,(H2,24,27);2*5-6,9-14H,7-8H2,1-4H3,(H2,23,25,26)/t25-;2*23-;2*22-/m11010/s1.

What are the key properties of 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2249.61 g/mol, XLogP of 14.66, 37 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1S)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 157337777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).