2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C142H159N47O10 — CID 157345986

IUPAC2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)Cc1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C24H26N8O2.2C24H28N8O.C24H27N7O2.C23H25N9O2.C23H25N7O2/c1-24(17-5-6-17,18-7-8-19(26-12-18)15-4-9-20(25)27-10-15)23-29-22(34-30-23)16-11-28-32(13-16)14-21(33)31(2)3;2*1-14(2)8-18-12-28-20(13-26-18)21-31-22(32-33-21)24(5,15(3)4)17-6-7-19(27-11-17)16-9-29-23(25)30-10-16;1-23(2,32)14-31-13-16(11-28-31)21-29-22(30-33-21)24(3,17-5-6-17)18-7-8-19(26-12-18)15-4-9-20(25)27-10-15;1-23(16-4-5-16,17-6-7-18(25-11-17)14-8-26-22(24)27-9-14)21-29-20(34-30-21)15-10-28-32(12-15)13-19(33)31(2)3;1-23(17-4-5-17,18-6-7-19(25-13-18)15-3-8-20(24)26-11-15)22-28-21(32-29-22)16-12-27-30(14-16)9-10-31-2/h4,7-13,17H,5-6,14H2,1-3H3,(H2,25,27);2*6-7,9-15H,8H2,1-5H3,(H2,25,29,30);4,7-13,17,32H,5-6,14H2,1-3H3,(H2,25,27);6-12,16H,4-5,13H2,1-3H3,(H2,24,26,27);3,6-8,11-14,17H,4-5,9-10H2,1-2H3,(H2,24,26)/t4*24-;2*23-/m110111/s1
InChIKeyBGYZUEPQRHUAAQ-DEWYCKJDSA-N
MW2684.15 g/mol
LogP19.98
Rot. Bonds43

About 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 157345986) has the molecular formula C142H159N47O10 and a molecular weight of 2684.15 g/mol. Its IUPAC name is 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID157345986
Molecular FormulaC142H159N47O10
Molecular Weight2684.15 g/mol
Exact Mass2682.34
IUPAC Name2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)Cc1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C24H26N8O2.2C24H28N8O.C24H27N7O2.C23H25N9O2.C23H25N7O2/c1-24(17-5-6-17,18-7-8-19(26-12-18)15-4-9-20(25)27-10-15)23-29-22(34-30-23)16-11-28-32(13-16)14-21(33)31(2)3;2*1-14(2)8-18-12-28-20(13-26-18)21-31-22(32-33-21)24(5,15(3)4)17-6-7-19(27-11-17)16-9-29-23(25)30-10-16;1-23(2,32)14-31-13-16(11-28-31)21-29-22(30-33-21)24(3,17-5-6-17)18-7-8-19(26-12-18)15-4-9-20(25)27-10-15;1-23(16-4-5-16,17-6-7-18(25-11-17)14-8-26-22(24)27-9-14)21-29-20(34-30-21)15-10-28-32(12-15)13-19(33)31(2)3;1-23(17-4-5-17,18-6-7-19(25-13-18)15-3-8-20(24)26-11-15)22-28-21(32-29-22)16-12-27-30(14-16)9-10-31-2/h4,7-13,17H,5-6,14H2,1-3H3,(H2,25,27);2*6-7,9-15H,8H2,1-5H3,(H2,25,29,30);4,7-13,17,32H,5-6,14H2,1-3H3,(H2,25,27);6-12,16H,4-5,13H2,1-3H3,(H2,24,26,27);3,6-8,11-14,17H,4-5,9-10H2,1-2H3,(H2,24,26)/t4*24-;2*23-/m110111/s1
InChIKeyBGYZUEPQRHUAAQ-DEWYCKJDSA-N
XLogP19.98
TPSA775.91 Ų
H-Bond Donors7
H-Bond Acceptors55
Rotatable Bonds43
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002684.15
LogP ≤ 519.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1055

Analyze 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 157345986) is 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)Cc1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CC(C)Cc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.
What is the InChIKey of 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is BGYZUEPQRHUAAQ-DEWYCKJDSA-N. The full InChI is InChI=1S/C24H26N8O2.2C24H28N8O.C24H27N7O2.C23H25N9O2.C23H25N7O2/c1-24(17-5-6-17,18-7-8-19(26-12-18)15-4-9-20(25)27-10-15)23-29-22(34-30-23)16-11-28-32(13-16)14-21(33)31(2)3;2*1-14(2)8-18-12-28-20(13-26-18)21-31-22(32-33-21)24(5,15(3)4)17-6-7-19(27-11-17)16-9-29-23(25)30-10-16;1-23(2,32)14-31-13-16(11-28-31)21-29-22(30-33-21)24(3,17-5-6-17)18-7-8-19(26-12-18)15-4-9-20(25)27-10-15;1-23(16-4-5-16,17-6-7-18(25-11-17)14-8-26-22(24)27-9-14)21-29-20(34-30-21)15-10-28-32(12-15)13-19(33)31(2)3;1-23(17-4-5-17,18-6-7-19(25-13-18)15-3-8-20(24)26-11-15)22-28-21(32-29-22)16-12-27-30(14-16)9-10-31-2/h4,7-13,17H,5-6,14H2,1-3H3,(H2,25,27);2*6-7,9-15H,8H2,1-5H3,(H2,25,29,30);4,7-13,17,32H,5-6,14H2,1-3H3,(H2,25,27);6-12,16H,4-5,13H2,1-3H3,(H2,24,26,27);3,6-8,11-14,17H,4-5,9-10H2,1-2H3,(H2,24,26)/t4*24-;2*23-/m110111/s1.
What are the key properties of 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2684.15 g/mol, XLogP of 19.98, 43 rotatable bonds, 7 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;1-[4-[3-[(1R)-1-[6-(6-amino-3-pyridinyl)-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,N-dimethylacetamide;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2S)-3-methyl-2-[5-[5-(2-methylpropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 157345986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).