(20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile

C119H105N37O8 — CID 159793310

IUPAC(20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)/N=C1/C=CC=CN12.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)/N=C1/C=CC=NN12.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1cn(C)c(=O)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1ncnc(=O)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2nccc1=O
InChIInChI=1S/C25H23N7O2.C24H21N7O2.C24H21N7O.C23H20N8O2.C23H20N8O/c1-13-5-6-17-18(7-13)14(2)34-21-9-15(11-28-24(21)27)22-19(30-32(4)20(22)10-26)8-16-12-31(3)25(33)29-23(16)17;1-13-4-5-16-17(8-13)14(2)33-20-9-15(11-28-23(20)26)22-18(29-30(3)19(22)10-25)12-31-21(32)6-7-27-24(16)31;1-14-7-8-18-17(10-14)15(2)32-20-11-16(13-27-23(20)26)22-19(12-25)30(3)29-24(22)28-21-6-4-5-9-31(18)21;1-12-4-5-17-15(6-12)13(2)33-19-7-14(10-26-22(19)25)21-16(29-30(3)18(21)9-24)8-20-27-11-28-23(32)31(17)20;1-13-6-7-17-16(9-13)14(2)32-19-10-15(12-26-22(19)25)21-18(11-24)30(3)29-23(21)28-20-5-4-8-27-31(17)20/h5-7,9,11-12,14H,8H2,1-4H3,(H2,27,28);4-9,11,14H,12H2,1-3H3,(H2,26,28);4-11,13,15H,1-3H3,(H2,26,27);4-7,10-11,13H,8H2,1-3H3,(H2,25,26);4-10,12,14H,1-3H3,(H2,25,26)/b;;28-21-;;28-20-/t2*14-;15-;13-;14-/m11111/s1
InChIKeyNIVPLDGSEIMZJK-NXKQJLRRSA-N
MW2181.40 g/mol
LogP16.36
Rot. Bonds

About (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile

(20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile (PubChem CID 159793310) has the molecular formula C119H105N37O8 and a molecular weight of 2181.40 g/mol. Its IUPAC name is (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile.

Molecular Properties

Compound Name(20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile
PubChem CID159793310
Molecular FormulaC119H105N37O8
Molecular Weight2181.40 g/mol
Exact Mass2179.89
IUPAC Name(20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)/N=C1/C=CC=CN12.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)/N=C1/C=CC=NN12.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1cn(C)c(=O)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1ncnc(=O)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2nccc1=O
InChIInChI=1S/C25H23N7O2.C24H21N7O2.C24H21N7O.C23H20N8O2.C23H20N8O/c1-13-5-6-17-18(7-13)14(2)34-21-9-15(11-28-24(21)27)22-19(30-32(4)20(22)10-26)8-16-12-31(3)25(33)29-23(16)17;1-13-4-5-16-17(8-13)14(2)33-20-9-15(11-28-23(20)26)22-18(29-30(3)19(22)10-25)12-31-21(32)6-7-27-24(16)31;1-14-7-8-18-17(10-14)15(2)32-20-11-16(13-27-23(20)26)22-19(12-25)30(3)29-24(22)28-21-6-4-5-9-31(18)21;1-12-4-5-17-15(6-12)13(2)33-19-7-14(10-26-22(19)25)21-16(29-30(3)18(21)9-24)8-20-27-11-28-23(32)31(17)20;1-13-6-7-17-16(9-13)14(2)32-19-10-15(12-26-22(19)25)21-18(11-24)30(3)29-23(21)28-20-5-4-8-27-31(17)20/h5-7,9,11-12,14H,8H2,1-4H3,(H2,27,28);4-9,11,14H,12H2,1-3H3,(H2,26,28);4-11,13,15H,1-3H3,(H2,26,27);4-7,10-11,13H,8H2,1-3H3,(H2,25,26);4-10,12,14H,1-3H3,(H2,25,26)/b;;28-21-;;28-20-/t2*14-;15-;13-;14-/m11111/s1
InChIKeyNIVPLDGSEIMZJK-NXKQJLRRSA-N
XLogP16.36
TPSA609.87 Ų
H-Bond Donors5
H-Bond Acceptors45
Rotatable Bonds
Heavy Atoms164
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002181.40
LogP ≤ 516.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1045

Analyze (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile?
The IUPAC name of (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile (CID 159793310) is (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile.
What is the SMILES notation for (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile?
The canonical SMILES for (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)/N=C1/C=CC=CN12.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)/N=C1/C=CC=NN12.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1cn(C)c(=O)nc1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cc1ncnc(=O)n1-2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)Cn1c-2nccc1=O.
What is the InChIKey of (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile?
The InChIKey is NIVPLDGSEIMZJK-NXKQJLRRSA-N. The full InChI is InChI=1S/C25H23N7O2.C24H21N7O2.C24H21N7O.C23H20N8O2.C23H20N8O/c1-13-5-6-17-18(7-13)14(2)34-21-9-15(11-28-24(21)27)22-19(30-32(4)20(22)10-26)8-16-12-31(3)25(33)29-23(16)17;1-13-4-5-16-17(8-13)14(2)33-20-9-15(11-28-23(20)26)22-18(29-30(3)19(22)10-25)12-31-21(32)6-7-27-24(16)31;1-14-7-8-18-17(10-14)15(2)32-20-11-16(13-27-23(20)26)22-19(12-25)30(3)29-24(22)28-21-6-4-5-9-31(18)21;1-12-4-5-17-15(6-12)13(2)33-19-7-14(10-26-22(19)25)21-16(29-30(3)18(21)9-24)8-20-27-11-28-23(32)31(17)20;1-13-6-7-17-16(9-13)14(2)32-19-10-15(12-26-22(19)25)21-18(11-24)30(3)29-23(21)28-20-5-4-8-27-31(17)20/h5-7,9,11-12,14H,8H2,1-4H3,(H2,27,28);4-9,11,14H,12H2,1-3H3,(H2,26,28);4-11,13,15H,1-3H3,(H2,26,27);4-7,10-11,13H,8H2,1-3H3,(H2,25,26);4-10,12,14H,1-3H3,(H2,25,26)/b;;28-21-;;28-20-/t2*14-;15-;13-;14-/m11111/s1.
What are the key properties of (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile?
(20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile has a molecular weight of 2181.40 g/mol, XLogP of 16.36, 0 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (20R)-23-amino-4,10,17,20-tetramethyl-11-oxo-21-oxa-4,5,10,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,12,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,13,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,7,9,11,14(19),15,17,22,24-undecaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-12-oxo-21-oxa-4,5,9,11,13,24-hexazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,8,10,14(19),15,17,22,24-decaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-9-oxo-21-oxa-4,5,8,12,24-pentazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(26),2,5,10,12,14(19),15,17,22,24-decaene-3-carbonitrile is sourced from PubChem (CID 159793310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).