(17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile

C120H120N26O14 — CID 160930410

IUPAC(17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CCC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(COC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(COC1)O2
InChIInChI=1S/C25H25N5O2.C24H26N6O3.C24H23N5O3.C24H23N5O2.C23H23N5O4/c1-14-5-6-17-18(9-14)15(2)32-21-10-16(13-28-24(21)27)22-19(29-30(3)20(22)12-26)11-25(23(17)31)7-4-8-25;1-14-5-6-19-17(7-14)15(2)32-20-8-16(10-27-22(20)26)21-18(9-25)30(4)28-23(21)31-13-24(33-19)11-29(3)12-24;1-13-4-5-16-17(6-13)14(2)32-20-7-15(10-27-23(20)26)21-18(28-29(3)19(21)9-25)8-24(22(16)30)11-31-12-24;1-13-4-5-16-17(8-13)14(2)31-20-9-15(12-27-23(20)26)21-18(28-29(3)19(21)11-25)10-24(6-7-24)22(16)30;1-13-4-5-18-16(6-13)14(2)31-19-7-15(9-26-21(19)25)20-17(8-24)28(3)27-22(20)30-12-23(32-18)10-29-11-23/h5-6,9-10,13,15H,4,7-8,11H2,1-3H3,(H2,27,28);5-8,10,15H,11-13H2,1-4H3,(H2,26,27);4-7,10,14H,8,11-12H2,1-3H3,(H2,26,27);4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,26,27);4-7,9,14H,10-12H2,1-3H3,(H2,25,26)/t2*15-;3*14-/m11111/s1
InChIKeySTENOQZWTKCRJV-GCRNLNFGSA-N
MW2150.45 g/mol
LogP17.10
Rot. Bonds

About (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile

(17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile (PubChem CID 160930410) has the molecular formula C120H120N26O14 and a molecular weight of 2150.45 g/mol. Its IUPAC name is (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile.

Molecular Properties

Compound Name(17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile
PubChem CID160930410
Molecular FormulaC120H120N26O14
Molecular Weight2150.45 g/mol
Exact Mass2148.95
IUPAC Name(17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CCC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(COC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(COC1)O2
InChIInChI=1S/C25H25N5O2.C24H26N6O3.C24H23N5O3.C24H23N5O2.C23H23N5O4/c1-14-5-6-17-18(9-14)15(2)32-21-10-16(13-28-24(21)27)22-19(29-30(3)20(22)12-26)11-25(23(17)31)7-4-8-25;1-14-5-6-19-17(7-14)15(2)32-20-8-16(10-27-22(20)26)21-18(9-25)30(4)28-23(21)31-13-24(33-19)11-29(3)12-24;1-13-4-5-16-17(6-13)14(2)32-20-7-15(10-27-23(20)26)21-18(28-29(3)19(21)9-25)8-24(22(16)30)11-31-12-24;1-13-4-5-16-17(8-13)14(2)31-20-9-15(12-27-23(20)26)21-18(28-29(3)19(21)11-25)10-24(6-7-24)22(16)30;1-13-4-5-18-16(6-13)14(2)31-19-7-15(9-26-21(19)25)20-17(8-24)28(3)27-22(20)30-12-23(32-18)10-29-11-23/h5-6,9-10,13,15H,4,7-8,11H2,1-3H3,(H2,27,28);5-8,10,15H,11-13H2,1-4H3,(H2,26,27);4-7,10,14H,8,11-12H2,1-3H3,(H2,26,27);4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,26,27);4-7,9,14H,10-12H2,1-3H3,(H2,25,26)/t2*15-;3*14-/m11111/s1
InChIKeySTENOQZWTKCRJV-GCRNLNFGSA-N
XLogP17.10
TPSA558.58 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002150.45
LogP ≤ 517.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile?
The IUPAC name of (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile (CID 160930410) is (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile.
What is the SMILES notation for (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile?
The canonical SMILES for (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(CCC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1(COC1)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(COC1)O2.
What is the InChIKey of (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile?
The InChIKey is STENOQZWTKCRJV-GCRNLNFGSA-N. The full InChI is InChI=1S/C25H25N5O2.C24H26N6O3.C24H23N5O3.C24H23N5O2.C23H23N5O4/c1-14-5-6-17-18(9-14)15(2)32-21-10-16(13-28-24(21)27)22-19(29-30(3)20(22)12-26)11-25(23(17)31)7-4-8-25;1-14-5-6-19-17(7-14)15(2)32-20-8-16(10-27-22(20)26)21-18(9-25)30(4)28-23(21)31-13-24(33-19)11-29(3)12-24;1-13-4-5-16-17(6-13)14(2)32-20-7-15(10-27-23(20)26)21-18(28-29(3)19(21)9-25)8-24(22(16)30)11-31-12-24;1-13-4-5-16-17(8-13)14(2)31-20-9-15(12-27-23(20)26)21-18(28-29(3)19(21)11-25)10-24(6-7-24)22(16)30;1-13-4-5-18-16(6-13)14(2)31-19-7-15(9-26-21(19)25)20-17(8-24)28(3)27-22(20)30-12-23(32-18)10-29-11-23/h5-6,9-10,13,15H,4,7-8,11H2,1-3H3,(H2,27,28);5-8,10,15H,11-13H2,1-4H3,(H2,26,27);4-7,10,14H,8,11-12H2,1-3H3,(H2,26,27);4-5,8-9,12,14H,6-7,10H2,1-3H3,(H2,26,27);4-7,9,14H,10-12H2,1-3H3,(H2,25,26)/t2*15-;3*14-/m11111/s1.
What are the key properties of (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile?
(17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile has a molecular weight of 2150.45 g/mol, XLogP of 17.10, 0 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (17R)-20-amino-1',4,14,17-tetramethylspiro[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-azetidine]-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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-trimethyl-9-oxospiro[17-oxa-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[7,10,18-trioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-9,3'-oxetane]-3-carbonitrile is sourced from PubChem (CID 160930410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).