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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C133H147N53O8 — CID 162140062

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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(N3CCNCC3)cn2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.COCCN(C)c1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.C[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cn[nH]c2)n1)C1CC1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C24H28N10O.C24H29N9O2.C23H25N9O2.C23H27N9O.C20H20N8O.C19H18N8O/c1-15(2)24(3,17-4-5-18(27-12-17)16-10-30-23(25)31-11-16)22-32-21(35-33-22)19-13-29-20(14-28-19)34-8-6-26-7-9-34;1-15(2)24(3,17-6-7-18(26-12-17)16-10-29-23(25)30-11-16)22-31-21(35-32-22)19-13-28-20(14-27-19)33(4)8-9-34-5;1-23(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;1-23(16-4-5-16,17-6-7-18(25-11-17)19-12-27-20(24)13-26-19)22-29-21(33-30-22)15-10-28-32(14-15)9-8-31(2)3;1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12;1-19(13-2-3-13,17-26-16(28-27-17)12-8-24-25-9-12)14-4-5-15(21-10-14)11-6-22-18(20)23-7-11/h4-5,10-15,26H,6-9H2,1-3H3,(H2,25,30,31);6-7,10-15H,8-9H2,1-5H3,(H2,25,29,30);6-12,15H,4-5,13H2,1-3H3,(H2,24,27);6-7,10-14,16H,4-5,8-9H2,1-3H3,(H2,24,27);5-11,14H,3-4H2,1-2H3,(H2,21,23,24);4-10,13H,2-3H2,1H3,(H,24,25)(H2,20,22,23)/t2*24-;2*23-;20-;19-/m111111/s1
InChIKeyZJUQZGAAPPCDCW-CYPOKNSJSA-N
MW2616.00 g/mol
LogP15.38
Rot. Bonds40

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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 162140062) has the molecular formula C133H147N53O8 and a molecular weight of 2616.00 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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-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-(5-aminopyrazin-2-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-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID162140062
Molecular FormulaC133H147N53O8
Molecular Weight2616.00 g/mol
Exact Mass2614.27
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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(N3CCNCC3)cn2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.COCCN(C)c1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.C[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cn[nH]c2)n1)C1CC1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1
InChIInChI=1S/C24H28N10O.C24H29N9O2.C23H25N9O2.C23H27N9O.C20H20N8O.C19H18N8O/c1-15(2)24(3,17-4-5-18(27-12-17)16-10-30-23(25)31-11-16)22-32-21(35-33-22)19-13-29-20(14-28-19)34-8-6-26-7-9-34;1-15(2)24(3,17-6-7-18(26-12-17)16-10-29-23(25)30-11-16)22-31-21(35-32-22)19-13-28-20(14-27-19)33(4)8-9-34-5;1-23(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;1-23(16-4-5-16,17-6-7-18(25-11-17)19-12-27-20(24)13-26-19)22-29-21(33-30-22)15-10-28-32(14-15)9-8-31(2)3;1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12;1-19(13-2-3-13,17-26-16(28-27-17)12-8-24-25-9-12)14-4-5-15(21-10-14)11-6-22-18(20)23-7-11/h4-5,10-15,26H,6-9H2,1-3H3,(H2,25,30,31);6-7,10-15H,8-9H2,1-5H3,(H2,25,29,30);6-12,15H,4-5,13H2,1-3H3,(H2,24,27);6-7,10-14,16H,4-5,8-9H2,1-3H3,(H2,24,27);5-11,14H,3-4H2,1-2H3,(H2,21,23,24);4-10,13H,2-3H2,1H3,(H,24,25)(H2,20,22,23)/t2*24-;2*23-;20-;19-/m111111/s1
InChIKeyZJUQZGAAPPCDCW-CYPOKNSJSA-N
XLogP15.38
TPSA806.65 Ų
H-Bond Donors8
H-Bond Acceptors59
Rotatable Bonds40
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002616.00
LogP ≤ 515.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1059

Analyze 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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-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-(5-aminopyrazin-2-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-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-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-(5-aminopyrazin-2-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-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 162140062) 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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-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-(5-aminopyrazin-2-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-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-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-(5-aminopyrazin-2-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-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnc(N3CCNCC3)cn2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.COCCN(C)c1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.C[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cn[nH]c2)n1)C1CC1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is ZJUQZGAAPPCDCW-CYPOKNSJSA-N. The full InChI is InChI=1S/C24H28N10O.C24H29N9O2.C23H25N9O2.C23H27N9O.C20H20N8O.C19H18N8O/c1-15(2)24(3,17-4-5-18(27-12-17)16-10-30-23(25)31-11-16)22-32-21(35-33-22)19-13-29-20(14-28-19)34-8-6-26-7-9-34;1-15(2)24(3,17-6-7-18(26-12-17)16-10-29-23(25)30-11-16)22-31-21(35-32-22)19-13-28-20(14-27-19)33(4)8-9-34-5;1-23(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;1-23(16-4-5-16,17-6-7-18(25-11-17)19-12-27-20(24)13-26-19)22-29-21(33-30-22)15-10-28-32(14-15)9-8-31(2)3;1-20(14-3-4-14,18-26-17(29-27-18)13-9-25-28(2)11-13)15-5-6-16(22-10-15)12-7-23-19(21)24-8-12;1-19(13-2-3-13,17-26-16(28-27-17)12-8-24-25-9-12)14-4-5-15(21-10-14)11-6-22-18(20)23-7-11/h4-5,10-15,26H,6-9H2,1-3H3,(H2,25,30,31);6-7,10-15H,8-9H2,1-5H3,(H2,25,29,30);6-12,15H,4-5,13H2,1-3H3,(H2,24,27);6-7,10-14,16H,4-5,8-9H2,1-3H3,(H2,24,27);5-11,14H,3-4H2,1-2H3,(H2,21,23,24);4-10,13H,2-3H2,1H3,(H,24,25)(H2,20,22,23)/t2*24-;2*23-;20-;19-/m111111/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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?
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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2616.00 g/mol, XLogP of 15.38, 40 rotatable bonds, 8 hydrogen bond donors, and 59 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;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-2-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 162140062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).