(16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile

C118H122N26O11 — CID 158506411

IUPAC(16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CCC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(COC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(CC1)O2
InChIInChI=1S/C24H26N6O2.2C24H25N5O2.C23H23N5O3.C23H23N5O2/c1-14-5-6-20-17(7-14)15(2)31-21-8-16(11-27-23(21)26)22-18(28-30(4)19(22)10-25)9-24(32-20)12-29(3)13-24;1-14-5-6-20-17(9-14)15(2)30-21-10-16(13-27-23(21)26)22-18(28-29(3)19(22)12-25)11-24(31-20)7-4-8-24;1-14-4-5-20-17(10-14)15(2)30-21-11-16(13-27-23(21)26)22-18(28-29(3)19(22)12-25)6-7-24(31-20)8-9-24;1-13-4-5-19-16(6-13)14(2)30-20-7-15(10-26-22(20)25)21-17(27-28(3)18(21)9-24)8-23(31-19)11-29-12-23;1-13-4-5-19-16(8-13)14(2)29-20-9-15(12-26-22(20)25)21-17(10-23(30-19)6-7-23)27-28(3)18(21)11-24/h5-8,11,15H,9,12-13H2,1-4H3,(H2,26,27);5-6,9-10,13,15H,4,7-8,11H2,1-3H3,(H2,26,27);4-5,10-11,13,15H,6-9H2,1-3H3,(H2,26,27);4-7,10,14H,8,11-12H2,1-3H3,(H2,25,26);4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,25,26)/t3*15-;2*14-/m11111/s1
InChIKeyHKNBSOFMFNFIHQ-BUCCJIGUSA-N
MW2080.44 g/mol
LogP18.43
Rot. Bonds

About (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile

(16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile (PubChem CID 158506411) has the molecular formula C118H122N26O11 and a molecular weight of 2080.44 g/mol. Its IUPAC name is (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile.

Molecular Properties

Compound Name(16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile
PubChem CID158506411
Molecular FormulaC118H122N26O11
Molecular Weight2080.44 g/mol
Exact Mass2078.98
IUPAC Name(16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CCC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(COC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(CC1)O2
InChIInChI=1S/C24H26N6O2.2C24H25N5O2.C23H23N5O3.C23H23N5O2/c1-14-5-6-20-17(7-14)15(2)31-21-8-16(11-27-23(21)26)22-18(28-30(4)19(22)10-25)9-24(32-20)12-29(3)13-24;1-14-5-6-20-17(9-14)15(2)30-21-10-16(13-27-23(21)26)22-18(28-29(3)19(22)12-25)11-24(31-20)7-4-8-24;1-14-4-5-20-17(10-14)15(2)30-21-11-16(13-27-23(21)26)22-18(28-29(3)19(22)12-25)6-7-24(31-20)8-9-24;1-13-4-5-19-16(6-13)14(2)30-20-7-15(10-26-22(20)25)21-17(27-28(3)18(21)9-24)8-23(31-19)11-29-12-23;1-13-4-5-19-16(8-13)14(2)29-20-9-15(12-26-22(20)25)21-17(10-23(30-19)6-7-23)27-28(3)18(21)11-24/h5-8,11,15H,9,12-13H2,1-4H3,(H2,26,27);5-6,9-10,13,15H,4,7-8,11H2,1-3H3,(H2,26,27);4-5,10-11,13,15H,6-9H2,1-3H3,(H2,26,27);4-7,10,14H,8,11-12H2,1-3H3,(H2,25,26);4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,25,26)/t3*15-;2*14-/m11111/s1
InChIKeyHKNBSOFMFNFIHQ-BUCCJIGUSA-N
XLogP18.43
TPSA507.37 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002080.44
LogP ≤ 518.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile?
The IUPAC name of (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile (CID 158506411) is (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile.
What is the SMILES notation for (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile?
The canonical SMILES for (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CCC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(COC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(CC1)O2.
What is the InChIKey of (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile?
The InChIKey is HKNBSOFMFNFIHQ-BUCCJIGUSA-N. The full InChI is InChI=1S/C24H26N6O2.2C24H25N5O2.C23H23N5O3.C23H23N5O2/c1-14-5-6-20-17(7-14)15(2)31-21-8-16(11-27-23(21)26)22-18(28-30(4)19(22)10-25)9-24(32-20)12-29(3)13-24;1-14-5-6-20-17(9-14)15(2)30-21-10-16(13-27-23(21)26)22-18(28-29(3)19(22)12-25)11-24(31-20)7-4-8-24;1-14-4-5-20-17(10-14)15(2)30-21-11-16(13-27-23(21)26)22-18(28-29(3)19(22)12-25)6-7-24(31-20)8-9-24;1-13-4-5-19-16(6-13)14(2)30-20-7-15(10-26-22(20)25)21-17(27-28(3)18(21)9-24)8-23(31-19)11-29-12-23;1-13-4-5-19-16(8-13)14(2)29-20-9-15(12-26-22(20)25)21-17(10-23(30-19)6-7-23)27-28(3)18(21)11-24/h5-8,11,15H,9,12-13H2,1-4H3,(H2,26,27);5-6,9-10,13,15H,4,7-8,11H2,1-3H3,(H2,26,27);4-5,10-11,13,15H,6-9H2,1-3H3,(H2,26,27);4-7,10,14H,8,11-12H2,1-3H3,(H2,25,26);4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,25,26)/t3*15-;2*14-/m11111/s1.
What are the key properties of (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile?
(16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile has a molecular weight of 2080.44 g/mol, XLogP of 18.43, 0 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-19-amino-1',4,13,16-tetramethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclobutane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,1'-cyclopropane]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethylspiro[9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-8,3'-oxetane]-3-carbonitrile;(17R)-20-amino-4,14,17-trimethylspiro[10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,1'-cyclopropane]-3-carbonitrile is sourced from PubChem (CID 158506411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).