5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C145H169F5N24O16 — CID 160990798

About 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 160990798) has the molecular formula C145H169F5N24O16 and a molecular weight of 2599.09 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

• Compound Name: 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• PubChem CID: 160990798
• Molecular Formula: C145H169F5N24O16
• Molecular Weight: 2599.09 g/mol
• Exact Mass: 2597.31
• IUPAC Name: 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
• SMILES: C.CC(F)(F)CN1CCn2nc(OCc3ccccc3)cc2C1=O.CC1(CN2CCn3nc(OCc4ccccc4)cc3C2=O)CCC1.CC1(F)CC(CN2CCn3nc(OCc4ccccc4)cc3C2=O)C1.CC1(F)CC1CN1CCCn2nc(OCc3ccccc3)cc2C1=O.CC1(F)CC1CN1CCn2nc(OCc3ccccc3)cc2C1=O.O=C1c2cc(OCc3ccccc3)nn2CCCN1CC1CC1.O=C1c2cc(OCc3ccccc3)nn2CCN1CC1CC1.O=C1c2cc(OCc3ccccc3)nn2CCN1CC1CCC1
• InChI: InChI=1S/2C19H22FN3O2.C19H23N3O2.C18H20FN3O2.2C18H21N3O2.C17H19N3O2.C16H17F2N3O2.CH4/c1-19(20)11-15(19)12-22-8-5-9-23-16(18(22)24)10-17(21-23)25-13-14-6-3-2-4-7-14;1-19(20)10-15(11-19)12-22-7-8-23-16(18(22)24)9-17(21-23)25-13-14-5-3-2-4-6-14;1-19(8-5-9-19)14-21-10-11-22-16(18(21)23)12-17(20-22)24-13-15-6-3-2-4-7-15;1-18(19)10-14(18)11-21-7-8-22-15(17(21)23)9-16(20-22)24-12-13-5-3-2-4-6-13;22-18-16-11-17(23-13-15-5-2-1-3-6-15)19-21(16)10-4-9-20(18)12-14-7-8-14;22-18-16-11-17(23-13-15-5-2-1-3-6-15)19-21(16)10-9-20(18)12-14-7-4-8-14;21-17-15-10-16(22-12-14-4-2-1-3-5-14)18-20(15)9-8-19(17)11-13-6-7-13;1-16(17,18)11-20-7-8-21-13(15(20)22)9-14(19-21)23-10-12-5-3-2-4-6-12;/h2-4,6-7,10,15H,5,8-9,11-13H2,1H3;2-6,9,15H,7-8,10-13H2,1H3;2-4,6-7,12H,5,8-11,13-14H2,1H3;2-6,9,14H,7-8,10-12H2,1H3;2*1-3,5-6,11,14H,4,7-10,12-13H2;1-5,10,13H,6-9,11-12H2;2-6,9H,7-8,10-11H2,1H3;1H4
• InChIKey: TUPCMBRVANPAHG-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 378.88 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 40
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2599.09
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The IUPAC name of 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 160990798) is 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

What is the SMILES notation for 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The canonical SMILES for 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C.CC(F)(F)CN1CCn2nc(OCc3ccccc3)cc2C1=O.CC1(CN2CCn3nc(OCc4ccccc4)cc3C2=O)CCC1.CC1(F)CC(CN2CCn3nc(OCc4ccccc4)cc3C2=O)C1.CC1(F)CC1CN1CCCn2nc(OCc3ccccc3)cc2C1=O.CC1(F)CC1CN1CCn2nc(OCc3ccccc3)cc2C1=O.O=C1c2cc(OCc3ccccc3)nn2CCCN1CC1CC1.O=C1c2cc(OCc3ccccc3)nn2CCN1CC1CC1.O=C1c2cc(OCc3ccccc3)nn2CCN1CC1CCC1.

What is the InChIKey of 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

The InChIKey is TUPCMBRVANPAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H22FN3O2.C19H23N3O2.C18H20FN3O2.2C18H21N3O2.C17H19N3O2.C16H17F2N3O2.CH4/c1-19(20)11-15(19)12-22-8-5-9-23-16(18(22)24)10-17(21-23)25-13-14-6-3-2-4-7-14;1-19(20)10-15(11-19)12-22-7-8-23-16(18(22)24)9-17(21-23)25-13-14-5-3-2-4-6-14;1-19(8-5-9-19)14-21-10-11-22-16(18(21)23)12-17(20-22)24-13-15-6-3-2-4-7-15;1-18(19)10-14(18)11-21-7-8-22-15(17(21)23)9-16(20-22)24-12-13-5-3-2-4-6-13;22-18-16-11-17(23-13-15-5-2-1-3-6-15)19-21(16)10-4-9-20(18)12-14-7-8-14;22-18-16-11-17(23-13-15-5-2-1-3-6-15)19-21(16)10-9-20(18)12-14-7-4-8-14;21-17-15-10-16(22-12-14-4-2-1-3-5-14)18-20(15)9-8-19(17)11-13-6-7-13;1-16(17,18)11-20-7-8-21-13(15(20)22)9-14(19-21)23-10-12-5-3-2-4-6-12;/h2-4,6-7,10,15H,5,8-9,11-13H2,1H3;2-6,9,15H,7-8,10-13H2,1H3;2-4,6-7,12H,5,8-11,13-14H2,1H3;2-6,9,14H,7-8,10-12H2,1H3;2*1-3,5-6,11,14H,4,7-10,12-13H2;1-5,10,13H,6-9,11-12H2;2-6,9H,7-8,10-11H2,1H3;1H4.

What are the key properties of 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?

5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2599.09 g/mol, XLogP of 22.86, 40 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclobutylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-(cyclopropylmethyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-(2,2-difluoropropyl)-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-3-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepin-4-one;5-[(2-fluoro-2-methylcyclopropyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;methane;5-[(1-methylcyclobutyl)methyl]-2-phenylmethoxy-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 160990798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).