(17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile

C69H70N16O7 — CID 159734810

About (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile

(17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile (PubChem CID 159734810) has the molecular formula C69H70N16O7 and a molecular weight of 1235.42 g/mol. Its IUPAC name is (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile.

Molecular Properties

• Compound Name: (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile
• PubChem CID: 159734810
• Molecular Formula: C69H70N16O7
• Molecular Weight: 1235.42 g/mol
• Exact Mass: 1234.56
• IUPAC Name: (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile
• SMILES: Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)C1CC(C2)N1C.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OC1CC1O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OC1CCC1O2
• InChI: InChI=1S/C24H26N6O.C23H23N5O3.C22H21N5O3/c1-13-5-6-15-8-17-10-19(29(17)3)23-22(20(11-25)30(4)28-23)16-9-21(24(26)27-12-16)31-14(2)18(15)7-13;1-12-4-5-17-15(8-12)13(2)29-20-9-14(11-26-22(20)25)21-16(10-24)28(3)27-23(21)31-19-7-6-18(19)30-17;1-11-4-5-16-14(6-11)12(2)28-19-7-13(10-25-21(19)24)20-15(9-23)27(3)26-22(20)30-18-8-17(18)29-16/h5-7,9,12,14,17,19H,8,10H2,1-4H3,(H2,26,27);4-5,8-9,11,13,18-19H,6-7H2,1-3H3,(H2,25,26);4-7,10,12,17-18H,8H2,1-3H3,(H2,24,25)/t14-,17?,19?;13-,18?,19?;12-,17?,18?/m111/s1
• InChIKey: NBRVGYYZDOUCII-ADHFXJAPSA-N
• XLogP: 10.67
• TPSA: 309.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1235.42
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile?

The IUPAC name of (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile (CID 159734810) is (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile.

What is the SMILES notation for (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile?

The canonical SMILES for (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)C1CC(C2)N1C.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OC1CC1O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OC1CCC1O2.

What is the InChIKey of (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile?

The InChIKey is NBRVGYYZDOUCII-ADHFXJAPSA-N. The full InChI is InChI=1S/C24H26N6O.C23H23N5O3.C22H21N5O3/c1-13-5-6-15-8-17-10-19(29(17)3)23-22(20(11-25)30(4)28-23)16-9-21(24(26)27-12-16)31-14(2)18(15)7-13;1-12-4-5-17-15(8-12)13(2)29-20-9-14(11-26-22(20)25)21-16(10-24)28(3)27-23(21)31-19-7-6-18(19)30-17;1-11-4-5-16-14(6-11)12(2)28-19-7-13(10-25-21(19)24)20-15(9-23)27(3)26-22(20)30-18-8-17(18)29-16/h5-7,9,12,14,17,19H,8,10H2,1-4H3,(H2,26,27);4-5,8-9,11,13,18-19H,6-7H2,1-3H3,(H2,25,26);4-7,10,12,17-18H,8H2,1-3H3,(H2,24,25)/t14-,17?,19?;13-,18?,19?;12-,17?,18?/m111/s1.

What are the key properties of (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile?

(17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile has a molecular weight of 1235.42 g/mol, XLogP of 10.67, 0 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (17R)-20-amino-4,8,14,17-tetramethyl-18-oxa-4,5,8,21-tetrazapentacyclo[17.3.1.17,9.02,6.011,16]tetracosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,12,20-trioxa-4,5,23-triazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-7,11,19-trioxa-4,5,22-triazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile is sourced from PubChem (CID 159734810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).