1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea

C115H135F4N29O19S6 — CID 161184879

About 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea

1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea (PubChem CID 161184879) has the molecular formula C115H135F4N29O19S6 and a molecular weight of 2495.92 g/mol. Its IUPAC name is 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea.

Molecular Properties

• Compound Name: 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea
• PubChem CID: 161184879
• Molecular Formula: C115H135F4N29O19S6
• Molecular Weight: 2495.92 g/mol
• Exact Mass: 2493.87
• IUPAC Name: 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea
• SMILES: CN1CCC(F)(F)n2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CN1CCn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CN1CCn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1CNCC2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1NCC2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCCC2(F)F
• InChI: InChI=1S/C20H23F2N5O3S.C20H25N5O3S.C19H20F2N4O4S.2C19H23N5O3S.C18H21N5O3S/c1-26-9-8-20(21,22)27-18(26)16(11-23-27)31(29,30)25-19(28)24-17-14-6-2-4-12(14)10-13-5-3-7-15(13)17;1-24-8-9-25-17(12-24)18(11-21-25)29(27,28)23-20(26)22-19-15-6-2-4-13(15)10-14-5-3-7-16(14)19;20-19(21)7-8-29-17-15(10-22-25(17)19)30(27,28)24-18(26)23-16-13-5-1-3-11(13)9-12-4-2-6-14(12)16;1-23-8-9-24-18(23)16(11-20-24)28(26,27)22-19(25)21-17-14-6-2-4-12(14)10-13-5-3-7-15(13)17;25-19(23-28(26,27)17-11-21-24-8-7-20-10-16(17)24)22-18-14-5-1-3-12(14)9-13-4-2-6-15(13)18;24-18(22-27(25,26)15-10-20-23-8-7-19-17(15)23)21-16-13-5-1-3-11(13)9-12-4-2-6-14(12)16/h10-11H,2-9H2,1H3,(H2,24,25,28);10-11H,2-9,12H2,1H3,(H2,22,23,26);9-10H,1-8H2,(H2,23,24,26);10-11H,2-9H2,1H3,(H2,21,22,25);9,11,20H,1-8,10H2,(H2,22,23,25);9-10,19H,1-8H2,(H2,21,22,24)
• InChIKey: USYMVNZMEQNAIX-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 601.55 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2495.92
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea?

The IUPAC name of 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea (CID 161184879) is 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea.

What is the SMILES notation for 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea?

The canonical SMILES for 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea is CN1CCC(F)(F)n2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CN1CCn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c21.CN1CCn2ncc(S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)c2C1.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1CNCC2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1NCC2.O=C(Nc1c2c(cc3c1CCC3)CCC2)NS(=O)(=O)c1cnn2c1OCCC2(F)F.

What is the InChIKey of 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea?

The InChIKey is USYMVNZMEQNAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N5O3S.C20H25N5O3S.C19H20F2N4O4S.2C19H23N5O3S.C18H21N5O3S/c1-26-9-8-20(21,22)27-18(26)16(11-23-27)31(29,30)25-19(28)24-17-14-6-2-4-12(14)10-13-5-3-7-15(13)17;1-24-8-9-25-17(12-24)18(11-21-25)29(27,28)23-20(26)22-19-15-6-2-4-13(15)10-14-5-3-7-16(14)19;20-19(21)7-8-29-17-15(10-22-25(17)19)30(27,28)24-18(26)23-16-13-5-1-3-11(13)9-12-4-2-6-14(12)16;1-23-8-9-24-18(23)16(11-20-24)28(26,27)22-19(25)21-17-14-6-2-4-12(14)10-13-5-3-7-15(13)17;25-19(23-28(26,27)17-11-21-24-8-7-20-10-16(17)24)22-18-14-5-1-3-12(14)9-13-4-2-6-15(13)18;24-18(22-27(25,26)15-10-20-23-8-7-19-17(15)23)21-16-13-5-1-3-11(13)9-12-4-2-6-14(12)16/h10-11H,2-9H2,1H3,(H2,24,25,28);10-11H,2-9,12H2,1H3,(H2,22,23,26);9-10H,1-8H2,(H2,23,24,26);10-11H,2-9H2,1H3,(H2,21,22,25);9,11,20H,1-8,10H2,(H2,22,23,25);9-10,19H,1-8H2,(H2,21,22,24).

What are the key properties of 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea?

1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea has a molecular weight of 2495.92 g/mol, XLogP of 12.37, 18 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(7,7-difluoro-5,6-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(7,7-difluoro-4-methyl-5,6-dihydropyrazolo[1,5-a]pyrimidin-3-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-ylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methyl-2,3-dihydroimidazo[2,1-e]pyrazol-7-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)sulfonyl]urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-ylsulfonyl)urea is sourced from PubChem (CID 161184879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).