N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide

C98H125F5N24O13 — CID 159837293

IUPACN-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide
SMILESCCC(=O)c1cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)nc(O[C@H](C)COC)n1.CC[C@@H](NC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(F)(F)F.COC[C@@H](C)Oc1nc(C(=O)NC2CCC2)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N[C@@H](C)C(C)(F)F)nc(N2CCC(C3=CCc4ncccc43)CC2)n1
InChIInChI=1S/C25H32F2N6O3.C25H32N6O3.C25H32N4O4.C23H29F3N8O3/c1-15(14-35-4)36-24-31-21(22(34)29-16(2)25(3,26)27)30-23(32-24)33-12-9-17(10-13-33)18-7-8-20-19(18)6-5-11-28-20;1-16(15-33-2)34-25-29-22(23(32)27-18-5-3-6-18)28-24(30-25)31-13-10-17(11-14-31)19-8-9-21-20(19)7-4-12-26-21;1-5-21(30)20-14-23(28-25(27-20)33-16(2)15-31-3)29-12-9-17(10-13-29)18-6-7-19-24(18)22(32-4)8-11-26-19;1-4-16(23(24,25)26)28-20(35)19-29-21(31-22(30-19)37-13(2)12-36-3)34-10-7-14(8-11-34)17-15-6-5-9-27-18(15)33-32-17/h5-7,11,15-17H,8-10,12-14H2,1-4H3,(H,29,34);4,7-8,12,16-18H,3,5-6,9-11,13-15H2,1-2H3,(H,27,32);6,8,11,14,16-17H,5,7,9-10,12-13,15H2,1-4H3;5-6,9,13-14,16H,4,7-8,10-12H2,1-3H3,(H,28,35)(H,27,32,33)/t15-,16+;2*16-;13-,16-/m1111/s1
InChIKeyNOFYGLCSVBWIFJ-WWQUPJFFSA-N
MW1942.22 g/mol
LogP12.88
Rot. Bonds35

About N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide

N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide (PubChem CID 159837293) has the molecular formula C98H125F5N24O13 and a molecular weight of 1942.22 g/mol. Its IUPAC name is N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide
PubChem CID159837293
Molecular FormulaC98H125F5N24O13
Molecular Weight1942.22 g/mol
Exact Mass1940.98
IUPAC NameN-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide
SMILESCCC(=O)c1cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)nc(O[C@H](C)COC)n1.CC[C@@H](NC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(F)(F)F.COC[C@@H](C)Oc1nc(C(=O)NC2CCC2)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N[C@@H](C)C(C)(F)F)nc(N2CCC(C3=CCc4ncccc43)CC2)n1
InChIInChI=1S/C25H32F2N6O3.C25H32N6O3.C25H32N4O4.C23H29F3N8O3/c1-15(14-35-4)36-24-31-21(22(34)29-16(2)25(3,26)27)30-23(32-24)33-12-9-17(10-13-33)18-7-8-20-19(18)6-5-11-28-20;1-16(15-33-2)34-25-29-22(23(32)27-18-5-3-6-18)28-24(30-25)31-13-10-17(11-14-31)19-8-9-21-20(19)7-4-12-26-21;1-5-21(30)20-14-23(28-25(27-20)33-16(2)15-31-3)29-12-9-17(10-13-29)18-6-7-19-24(18)22(32-4)8-11-26-19;1-4-16(23(24,25)26)28-20(35)19-29-21(31-22(30-19)37-13(2)12-36-3)34-10-7-14(8-11-34)17-15-6-5-9-27-18(15)33-32-17/h5-7,11,15-17H,8-10,12-14H2,1-4H3,(H,29,34);4,7-8,12,16-18H,3,5-6,9-11,13-15H2,1-2H3,(H,27,32);6,8,11,14,16-17H,5,7,9-10,12-13,15H2,1-4H3;5-6,9,13-14,16H,4,7-8,10-12H2,1-3H3,(H,28,35)(H,27,32,33)/t15-,16+;2*16-;13-,16-/m1111/s1
InChIKeyNOFYGLCSVBWIFJ-WWQUPJFFSA-N
XLogP12.88
TPSA422.43 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds35
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001942.22
LogP ≤ 512.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Analyze N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9593097, Example 360
CID 121409029
US9593097, Example 462
CID 121409134
US9593097, Example 430
CID 121409137
US9593097, Example 363
CID 121409171
US9593097, Example 371
CID 121409190
US9593097, Example 422
CID 121409451
US9593097, Example 364
CID 121409466
US9593097, Example 432
CID 121409573
US9593097, Example 429
CID 121409849
US9593097, Example 463
CID 121409434
US9593097, Example 404
CID 121409016
US9593097, Example 369
CID 121409045

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide?
The IUPAC name of N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide (CID 159837293) is N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide is CCC(=O)c1cc(N2CCC(C3=CCc4nccc(OC)c43)CC2)nc(O[C@H](C)COC)n1.CC[C@@H](NC(=O)c1nc(O[C@H](C)COC)nc(N2CCC(c3[nH]nc4ncccc34)CC2)n1)C(F)(F)F.COC[C@@H](C)Oc1nc(C(=O)NC2CCC2)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.COC[C@@H](C)Oc1nc(C(=O)N[C@@H](C)C(C)(F)F)nc(N2CCC(C3=CCc4ncccc43)CC2)n1.
What is the InChIKey of N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide?
The InChIKey is NOFYGLCSVBWIFJ-WWQUPJFFSA-N. The full InChI is InChI=1S/C25H32F2N6O3.C25H32N6O3.C25H32N4O4.C23H29F3N8O3/c1-15(14-35-4)36-24-31-21(22(34)29-16(2)25(3,26)27)30-23(32-24)33-12-9-17(10-13-33)18-7-8-20-19(18)6-5-11-28-20;1-16(15-33-2)34-25-29-22(23(32)27-18-5-3-6-18)28-24(30-25)31-13-10-17(11-14-31)19-8-9-21-20(19)7-4-12-26-21;1-5-21(30)20-14-23(28-25(27-20)33-16(2)15-31-3)29-12-9-17(10-13-29)18-6-7-19-24(18)22(32-4)8-11-26-19;1-4-16(23(24,25)26)28-20(35)19-29-21(31-22(30-19)37-13(2)12-36-3)34-10-7-14(8-11-34)17-15-6-5-9-27-18(15)33-32-17/h5-7,11,15-17H,8-10,12-14H2,1-4H3,(H,29,34);4,7-8,12,16-18H,3,5-6,9-11,13-15H2,1-2H3,(H,27,32);6,8,11,14,16-17H,5,7,9-10,12-13,15H2,1-4H3;5-6,9,13-14,16H,4,7-8,10-12H2,1-3H3,(H,28,35)(H,27,32,33)/t15-,16+;2*16-;13-,16-/m1111/s1.
What are the key properties of N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide?
N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide has a molecular weight of 1942.22 g/mol, XLogP of 12.88, 35 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;4-[4-(7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-N-[(2S)-3,3-difluorobutan-2-yl]-6-[(2R)-1-methoxypropan-2-yl]oxy-1,3,5-triazine-2-carboxamide;1-[6-[4-(4-methoxy-7H-cyclopenta[b]pyridin-5-yl)piperidin-1-yl]-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]propan-1-one;4-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]-N-[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 159837293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).