2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C136H165N27O6 — CID 164964565

About 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 164964565) has the molecular formula C136H165N27O6 and a molecular weight of 2274.00 g/mol. Its IUPAC name is 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 164964565
• Molecular Formula: C136H165N27O6
• Molecular Weight: 2274.00 g/mol
• Exact Mass: 2272.34
• IUPAC Name: 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CC5CCC(=O)C5C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCC(c5ncn[nH]5)C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCn5nccc5C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4Cc5ccnn5CC(O)C4)C3)c12
• InChI: InChI=1S/C34H42N8O.C34H41N7O2.C34H41N7O.C34H41N5O2/c1-2-24-8-3-9-25-10-4-12-29(30(24)25)40-19-13-27-28(21-40)37-33(43-22-34-14-6-17-42(34)18-7-15-34)38-32(27)41-16-5-11-26(20-41)31-35-23-36-39-31;1-2-24-7-3-8-25-9-4-10-30(31(24)25)38-18-12-28-29(22-38)36-33(43-23-34-13-5-16-40(34)17-6-14-34)37-32(28)39-19-26-11-15-35-41(26)21-27(42)20-39;1-2-25-8-3-9-26-10-4-11-30(31(25)26)38-21-13-28-29(23-38)36-33(42-24-34-14-5-18-40(34)19-6-15-34)37-32(28)39-17-7-20-41-27(22-39)12-16-35-41;1-2-23-7-3-8-24-9-4-10-29(31(23)24)37-18-13-26-28(21-37)35-33(41-22-34-14-5-16-39(34)17-6-15-34)36-32(26)38-19-25-11-12-30(40)27(25)20-38/h3-4,8-10,12,23,26H,2,5-7,11,13-22H2,1H3,(H,35,36,39);3-4,7-11,15,27,42H,2,5-6,12-14,16-23H2,1H3;3-4,8-12,16H,2,5-7,13-15,17-24H2,1H3;3-4,7-10,25,27H,2,5-6,11-22H2,1H3
• InChIKey: CHLAQSUQNDOOGQ-UHFFFAOYSA-N
• XLogP: 20.15
• TPSA: 293.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2274.00
LogP ≤ 5	20.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 164964565) is 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CC5CCC(=O)C5C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCC(c5ncn[nH]5)C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4CCCn5nccc5C4)C3)c12.CCc1cccc2cccc(N3CCc4c(nc(OCC56CCCN5CCC6)nc4N4Cc5ccnn5CC(O)C4)C3)c12.

What is the InChIKey of 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is CHLAQSUQNDOOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N8O.C34H41N7O2.C34H41N7O.C34H41N5O2/c1-2-24-8-3-9-25-10-4-12-29(30(24)25)40-19-13-27-28(21-40)37-33(43-22-34-14-6-17-42(34)18-7-15-34)38-32(27)41-16-5-11-26(20-41)31-35-23-36-39-31;1-2-24-7-3-8-25-9-4-10-30(31(24)25)38-18-12-28-29(22-38)36-33(43-23-34-13-5-16-40(34)17-6-14-34)37-32(28)39-19-26-11-15-35-41(26)21-27(42)20-39;1-2-25-8-3-9-26-10-4-11-30(31(25)26)38-21-13-28-29(23-38)36-33(42-24-34-14-5-18-40(34)19-6-15-34)37-32(28)39-17-7-20-41-27(22-39)12-16-35-41;1-2-23-7-3-8-24-9-4-10-29(31(23)24)37-18-13-26-28(21-37)35-33(41-22-34-14-5-16-39(34)17-6-15-34)36-32(26)38-19-25-11-12-30(40)27(25)20-38/h3-4,8-10,12,23,26H,2,5-7,11,13-22H2,1H3,(H,35,36,39);3-4,7-11,15,27,42H,2,5-6,12-14,16-23H2,1H3;3-4,8-12,16H,2,5-7,13-15,17-24H2,1H3;3-4,7-10,25,27H,2,5-6,11-22H2,1H3.

What are the key properties of 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 2274.00 g/mol, XLogP of 20.15, 25 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrol-4-one;5-[7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-ol;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-(4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;7-(8-ethylnaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 164964565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).