2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide

C141H113N41O5 — CID 157146322

IUPAC2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide
SMILESCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.CCCCC(=O)Nc1nccc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)n1.O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCC1
InChIInChI=1S/C31H22N8O.C28H22N8O.C28H24N8O.C27H23N9O.C27H22N8O/c40-28(11-19-5-2-1-3-6-19)35-23-12-22(15-33-16-23)20-8-9-26-24(13-20)30(39-38-26)31-36-27-18-34-17-25(29(27)37-31)21-7-4-10-32-14-21;37-28(16-3-1-4-16)32-20-9-19(12-30-13-20)17-6-7-23-21(10-17)26(36-35-23)27-33-24-15-31-14-22(25(24)34-27)18-5-2-8-29-11-18;1-2-3-6-25(37)32-20-10-19(13-30-14-20)17-7-8-23-21(11-17)27(36-35-23)28-33-24-16-31-15-22(26(24)34-28)18-5-4-9-29-12-18;1-2-3-6-23(37)33-27-30-11-9-20(32-27)16-7-8-21-18(12-16)25(36-35-21)26-31-22-15-29-14-19(24(22)34-26)17-5-4-10-28-13-17;1-2-4-24(36)31-19-9-18(12-29-13-19)16-6-7-22-20(10-16)26(35-34-22)27-32-23-15-30-14-21(25(23)33-27)17-5-3-8-28-11-17/h1-10,12-18H,11H2,(H,35,40)(H,36,37)(H,38,39);2,5-16H,1,3-4H2,(H,32,37)(H,33,34)(H,35,36);4-5,7-16H,2-3,6H2,1H3,(H,32,37)(H,33,34)(H,35,36);4-5,7-15H,2-3,6H2,1H3,(H,31,34)(H,35,36)(H,30,32,33,37);3,5-15H,2,4H2,1H3,(H,31,36)(H,32,33)(H,34,35)
InChIKeyAKSYJGGFRGVMIA-UHFFFAOYSA-N
MW2461.74 g/mol
LogP27.44
Rot. Bonds31

About 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide

2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide (PubChem CID 157146322) has the molecular formula C141H113N41O5 and a molecular weight of 2461.74 g/mol. Its IUPAC name is 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide.

Molecular Properties

Compound Name2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide
PubChem CID157146322
Molecular FormulaC141H113N41O5
Molecular Weight2461.74 g/mol
Exact Mass2459.98
IUPAC Name2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide
SMILESCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.CCCCC(=O)Nc1nccc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)n1.O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCC1
InChIInChI=1S/C31H22N8O.C28H22N8O.C28H24N8O.C27H23N9O.C27H22N8O/c40-28(11-19-5-2-1-3-6-19)35-23-12-22(15-33-16-23)20-8-9-26-24(13-20)30(39-38-26)31-36-27-18-34-17-25(29(27)37-31)21-7-4-10-32-14-21;37-28(16-3-1-4-16)32-20-9-19(12-30-13-20)17-6-7-23-21(10-17)26(36-35-23)27-33-24-15-31-14-22(25(24)34-27)18-5-2-8-29-11-18;1-2-3-6-25(37)32-20-10-19(13-30-14-20)17-7-8-23-21(11-17)27(36-35-23)28-33-24-16-31-15-22(26(24)34-28)18-5-4-9-29-12-18;1-2-3-6-23(37)33-27-30-11-9-20(32-27)16-7-8-21-18(12-16)25(36-35-21)26-31-22-15-29-14-19(24(22)34-26)17-5-4-10-28-13-17;1-2-4-24(36)31-19-9-18(12-29-13-19)16-6-7-22-20(10-16)26(35-34-22)27-32-23-15-30-14-21(25(23)33-27)17-5-3-8-28-11-17/h1-10,12-18H,11H2,(H,35,40)(H,36,37)(H,38,39);2,5-16H,1,3-4H2,(H,32,37)(H,33,34)(H,35,36);4-5,7-16H,2-3,6H2,1H3,(H,32,37)(H,33,34)(H,35,36);4-5,7-15H,2-3,6H2,1H3,(H,31,34)(H,35,36)(H,30,32,33,37);3,5-15H,2,4H2,1H3,(H,31,36)(H,32,33)(H,34,35)
InChIKeyAKSYJGGFRGVMIA-UHFFFAOYSA-N
XLogP27.44
TPSA638.54 Ų
H-Bond Donors15
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002461.74
LogP ≤ 527.44
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1031

Analyze 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide?
The IUPAC name of 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide (CID 157146322) is 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide.
What is the SMILES notation for 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide?
The canonical SMILES for 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide is CCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.CCCCC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.CCCCC(=O)Nc1nccc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)n1.O=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccnc6)cncc5[nH]4)c3c2)c1)C1CCC1.
What is the InChIKey of 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide?
The InChIKey is AKSYJGGFRGVMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N8O.C28H22N8O.C28H24N8O.C27H23N9O.C27H22N8O/c40-28(11-19-5-2-1-3-6-19)35-23-12-22(15-33-16-23)20-8-9-26-24(13-20)30(39-38-26)31-36-27-18-34-17-25(29(27)37-31)21-7-4-10-32-14-21;37-28(16-3-1-4-16)32-20-9-19(12-30-13-20)17-6-7-23-21(10-17)26(36-35-23)27-33-24-15-31-14-22(25(24)34-27)18-5-2-8-29-11-18;1-2-3-6-25(37)32-20-10-19(13-30-14-20)17-7-8-23-21(11-17)27(36-35-23)28-33-24-16-31-15-22(26(24)34-28)18-5-4-9-29-12-18;1-2-3-6-23(37)33-27-30-11-9-20(32-27)16-7-8-21-18(12-16)25(36-35-21)26-31-22-15-29-14-19(24(22)34-26)17-5-4-10-28-13-17;1-2-4-24(36)31-19-9-18(12-29-13-19)16-6-7-22-20(10-16)26(35-34-22)27-32-23-15-30-14-21(25(23)33-27)17-5-3-8-28-11-17/h1-10,12-18H,11H2,(H,35,40)(H,36,37)(H,38,39);2,5-16H,1,3-4H2,(H,32,37)(H,33,34)(H,35,36);4-5,7-16H,2-3,6H2,1H3,(H,32,37)(H,33,34)(H,35,36);4-5,7-15H,2-3,6H2,1H3,(H,31,34)(H,35,36)(H,30,32,33,37);3,5-15H,2,4H2,1H3,(H,31,36)(H,32,33)(H,34,35).
What are the key properties of 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide?
2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide has a molecular weight of 2461.74 g/mol, XLogP of 27.44, 31 rotatable bonds, 15 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[4-[3-(7-pyridin-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyrimidin-2-yl]pentanamide is sourced from PubChem (CID 157146322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).