1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine

C117H132FN39O9 — CID 157216049

About 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine

1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine (PubChem CID 157216049) has the molecular formula C117H132FN39O9 and a molecular weight of 2247.60 g/mol. Its IUPAC name is 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
• PubChem CID: 157216049
• Molecular Formula: C117H132FN39O9
• Molecular Weight: 2247.60 g/mol
• Exact Mass: 2246.11
• IUPAC Name: 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)c(F)c4)nc3)C3CC3)no2)cn1.CNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(C)(C)O)c4)n3)C3CC3)cn2)cn1.Cc1nc(N)cnc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(C)(C)O)c3)n2)C2CC2)cn1.Cc1nc(N)ncc1-c1ccc(C(C)(c2noc(-c3cnn(C)c3)n2)C2CC2)cn1.Cc1nc(N)ncc1-c1ccc(C(C)(c2noc(-c3cnn(CC(C)(C)O)c3)n2)C2CC2)cn1
• InChI: InChI=1S/C24H26FN7O2.3C24H28N8O2.C21H22N8O/c1-23(2,33)13-32-12-15(10-29-32)21-30-22(31-34-21)24(3,16-4-5-16)17-6-7-19(27-11-17)14-8-18(25)20(26)28-9-14;1-23(2,33)14-32-13-16(11-29-32)20-30-21(31-34-20)24(3,17-5-6-17)18-7-8-19(26-12-18)15-9-27-22(25-4)28-10-15;1-14-18(11-27-22(25)29-14)19-8-7-17(10-26-19)24(4,16-5-6-16)21-30-20(34-31-21)15-9-28-32(12-15)13-23(2,3)33;1-14-20(27-11-19(25)29-14)18-8-7-17(10-26-18)24(4,16-5-6-16)22-30-21(34-31-22)15-9-28-32(12-15)13-23(2,3)33;1-12-16(10-24-20(22)26-12)17-7-6-15(9-23-17)21(2,14-4-5-14)19-27-18(30-28-19)13-8-25-29(3)11-13/h6-12,16,33H,4-5,13H2,1-3H3,(H2,26,28);7-13,17,33H,5-6,14H2,1-4H3,(H,25,27,28);7-12,16,33H,5-6,13H2,1-4H3,(H2,25,27,29);7-12,16,33H,5-6,13H2,1-4H3,(H2,25,29);6-11,14H,4-5H2,1-3H3,(H2,22,24,26)/t2*24-;;24-;/m01.1./s1
• InChIKey: ASKUBSCJHQOCGU-CFYRTENESA-N
• XLogP: 16.17
• TPSA: 661.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 34
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2247.60
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?

The IUPAC name of 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine (CID 157216049) is 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine.

What is the SMILES notation for 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?

The canonical SMILES for 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)c(F)c4)nc3)C3CC3)no2)cn1.CNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(C)(C)O)c4)n3)C3CC3)cn2)cn1.Cc1nc(N)cnc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(C)(C)O)c3)n2)C2CC2)cn1.Cc1nc(N)ncc1-c1ccc(C(C)(c2noc(-c3cnn(C)c3)n2)C2CC2)cn1.Cc1nc(N)ncc1-c1ccc(C(C)(c2noc(-c3cnn(CC(C)(C)O)c3)n2)C2CC2)cn1.

What is the InChIKey of 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?

The InChIKey is ASKUBSCJHQOCGU-CFYRTENESA-N. The full InChI is InChI=1S/C24H26FN7O2.3C24H28N8O2.C21H22N8O/c1-23(2,33)13-32-12-15(10-29-32)21-30-22(31-34-21)24(3,16-4-5-16)17-6-7-19(27-11-17)14-8-18(25)20(26)28-9-14;1-23(2,33)14-32-13-16(11-29-32)20-30-21(31-34-20)24(3,17-5-6-17)18-7-8-19(26-12-18)15-9-27-22(25-4)28-10-15;1-14-18(11-27-22(25)29-14)19-8-7-17(10-26-19)24(4,16-5-6-16)21-30-20(34-31-21)15-9-28-32(12-15)13-23(2,3)33;1-14-20(27-11-19(25)29-14)18-8-7-17(10-26-18)24(4,16-5-6-16)22-30-21(34-31-22)15-9-28-32(12-15)13-23(2,3)33;1-12-16(10-24-20(22)26-12)17-7-6-15(9-23-17)21(2,14-4-5-14)19-27-18(30-28-19)13-8-25-29(3)11-13/h6-12,16,33H,4-5,13H2,1-3H3,(H2,26,28);7-13,17,33H,5-6,14H2,1-4H3,(H,25,27,28);7-12,16,33H,5-6,13H2,1-4H3,(H2,25,27,29);7-12,16,33H,5-6,13H2,1-4H3,(H2,25,29);6-11,14H,4-5H2,1-3H3,(H2,22,24,26)/t2*24-;;24-;/m01.1./s1.

What are the key properties of 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine?

1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine has a molecular weight of 2247.60 g/mol, XLogP of 16.17, 34 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[(1S)-1-[6-(6-amino-5-fluoro-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-[6-(5-amino-3-methylpyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[1-[6-(2-amino-4-methylpyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-4-methylpyrimidin-2-amine is sourced from PubChem (CID 157216049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).