(19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile

C119H115N37O11 — CID 159120373

About (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile

(19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile (PubChem CID 159120373) has the molecular formula C119H115N37O11 and a molecular weight of 2239.48 g/mol. Its IUPAC name is (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile.

Molecular Properties

• Compound Name: (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile
• PubChem CID: 159120373
• Molecular Formula: C119H115N37O11
• Molecular Weight: 2239.48 g/mol
• Exact Mass: 2237.96
• IUPAC Name: (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile
• SMILES: Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1=NC(=O)C(C)(CO)N12.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1cn(C)c(=O)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2cn(C)c1=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2nn(C)c1=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2nn(C)c1=O
• InChI: InChI=1S/C25H25N7O3.2C24H23N7O2.2C23H22N8O2/c1-13-5-6-18-16(7-13)14(2)35-20-8-15(11-28-23(20)27)22-17(30-31(4)19(22)10-26)9-21-29-24(34)25(3,12-33)32(18)21;1-13-5-6-19-17(7-13)14(2)33-21-8-15(11-27-23(21)26)22-18(28-30(4)20(22)10-25)9-16-12-29(3)24(32)31(16)19;1-13-5-6-16-17(7-13)14(2)33-21-8-15(10-27-23(21)26)22-18(28-30(4)19(22)9-25)11-31-20(16)12-29(3)24(31)32;2*1-12-5-6-15-16(7-12)13(2)33-19-8-14(10-26-21(19)25)20-17(27-29(3)18(20)9-24)11-31-22(15)28-30(4)23(31)32/h5-8,11,14,33H,9,12H2,1-4H3,(H2,27,28);5-8,11-12,14H,9H2,1-4H3,(H2,26,27);5-8,10,12,14H,11H2,1-4H3,(H2,26,27);2*5-8,10,13H,11H2,1-4H3,(H2,25,26)/t14-,25?;2*14-;2*13-/m11111/s1
• InChIKey: KFPVBIXYGUGXNT-WRJSFMEMSA-N
• XLogP: 12.74
• TPSA: 635.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 1
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2239.48
LogP ≤ 5	12.74
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile?

The IUPAC name of (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile (CID 159120373) is (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile.

What is the SMILES notation for (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile?

The canonical SMILES for (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1=NC(=O)C(C)(CO)N12.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1cn(C)c(=O)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2cn(C)c1=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2nn(C)c1=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2nn(C)c1=O.

What is the InChIKey of (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile?

The InChIKey is KFPVBIXYGUGXNT-WRJSFMEMSA-N. The full InChI is InChI=1S/C25H25N7O3.2C24H23N7O2.2C23H22N8O2/c1-13-5-6-18-16(7-13)14(2)35-20-8-15(11-28-23(20)27)22-17(30-31(4)19(22)10-26)9-21-29-24(34)25(3,12-33)32(18)21;1-13-5-6-19-17(7-13)14(2)33-21-8-15(11-27-23(21)26)22-18(28-30(4)20(22)10-25)9-16-12-29(3)24(32)31(16)19;1-13-5-6-16-17(7-13)14(2)33-21-8-15(10-27-23(21)26)22-18(28-30(4)19(22)9-25)11-31-20(16)12-29(3)24(31)32;2*1-12-5-6-15-16(7-12)13(2)33-19-8-14(10-26-21(19)25)20-17(27-29(3)18(20)9-24)11-31-22(15)28-30(4)23(31)32/h5-8,11,14,33H,9,12H2,1-4H3,(H2,27,28);5-8,11-12,14H,9H2,1-4H3,(H2,26,27);5-8,10,12,14H,11H2,1-4H3,(H2,26,27);2*5-8,10,13H,11H2,1-4H3,(H2,25,26)/t14-,25?;2*14-;2*13-/m11111/s1.

What are the key properties of (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile?

(19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile has a molecular weight of 2239.48 g/mol, XLogP of 12.74, 1 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (19R)-22-amino-11-(hydroxymethyl)-4,11,16,19-tetramethyl-10-oxo-20-oxa-4,5,9,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile;bis((19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,11,23-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile);(19R)-22-amino-4,10,16,19-tetramethyl-9-oxo-20-oxa-4,5,8,10,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,10,16,19-tetramethyl-11-oxo-20-oxa-4,5,10,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,8,13(18),14,16,21,23-nonaene-3-carbonitrile is sourced from PubChem (CID 159120373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).