(17R)-20-amino-1',4,14,17-tetramethylspiro[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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

C120H126N26O14 — CID 158353704

IUPAC(17R)-20-amino-1',4,14,17-tetramethylspiro[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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)CCC1(CCC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(COC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(COC1)O2
InChIInChI=1S/C25H28N6O2.C25H27N5O2.C24H25N5O3.C23H23N5O4.C23H23N5O3/c1-15-5-6-21-18(9-15)16(2)32-22-10-17(12-28-24(22)27)23-19(29-31(4)20(23)11-26)7-8-25(33-21)13-30(3)14-25;1-15-5-6-21-18(11-15)16(2)31-22-12-17(14-28-24(22)27)23-19(29-30(3)20(23)13-26)7-10-25(32-21)8-4-9-25;1-14-4-5-20-17(8-14)15(2)31-21-9-16(11-27-23(21)26)22-18(28-29(3)19(22)10-25)6-7-24(32-20)12-30-13-24;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;1-13-4-5-18-16(8-13)14(2)30-19-9-15(11-26-21(19)25)20-17(10-24)28(3)27-22(20)29-12-23(31-18)6-7-23/h5-6,9-10,12,16H,7-8,13-14H2,1-4H3,(H2,27,28);5-6,11-12,14,16H,4,7-10H2,1-3H3,(H2,27,28);4-5,8-9,11,15H,6-7,12-13H2,1-3H3,(H2,26,27);4-7,9,14H,10-12H2,1-3H3,(H2,25,26);4-5,8-9,11,14H,6-7,12H2,1-3H3,(H2,25,26)/t2*16-;15-;2*14-/m11111/s1
InChIKeyGSPXCCRBTLODBB-ZTHUXHLXSA-N
MW2156.50 g/mol
LogP18.12
Rot. Bonds

About (17R)-20-amino-1',4,14,17-tetramethylspiro[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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 158353704) has the molecular formula C120H126N26O14 and a molecular weight of 2156.50 g/mol. Its IUPAC name is (17R)-20-amino-1',4,14,17-tetramethylspiro[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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 CID158353704
Molecular FormulaC120H126N26O14
Molecular Weight2156.50 g/mol
Exact Mass2154.99
IUPAC Name(17R)-20-amino-1',4,14,17-tetramethylspiro[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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)CCC1(CCC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(COC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(COC1)O2
InChIInChI=1S/C25H28N6O2.C25H27N5O2.C24H25N5O3.C23H23N5O4.C23H23N5O3/c1-15-5-6-21-18(9-15)16(2)32-22-10-17(12-28-24(22)27)23-19(29-31(4)20(23)11-26)7-8-25(33-21)13-30(3)14-25;1-15-5-6-21-18(11-15)16(2)31-22-12-17(14-28-24(22)27)23-19(29-30(3)20(23)13-26)7-10-25(32-21)8-4-9-25;1-14-4-5-20-17(8-14)15(2)31-21-9-16(11-27-23(21)26)22-18(28-29(3)19(22)10-25)6-7-24(32-20)12-30-13-24;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;1-13-4-5-18-16(8-13)14(2)30-19-9-15(11-26-21(19)25)20-17(10-24)28(3)27-22(20)29-12-23(31-18)6-7-23/h5-6,9-10,12,16H,7-8,13-14H2,1-4H3,(H2,27,28);5-6,11-12,14,16H,4,7-10H2,1-3H3,(H2,27,28);4-5,8-9,11,15H,6-7,12-13H2,1-3H3,(H2,26,27);4-7,9,14H,10-12H2,1-3H3,(H2,25,26);4-5,8-9,11,14H,6-7,12H2,1-3H3,(H2,25,26)/t2*16-;15-;2*14-/m11111/s1
InChIKeyGSPXCCRBTLODBB-ZTHUXHLXSA-N
XLogP18.12
TPSA535.06 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.50
LogP ≤ 518.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze (17R)-20-amino-1',4,14,17-tetramethylspiro[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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 158353704) is (17R)-20-amino-1',4,14,17-tetramethylspiro[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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)CCC1(CCC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(CN(C)C1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CCC1(COC1)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CC1)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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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 GSPXCCRBTLODBB-ZTHUXHLXSA-N. The full InChI is InChI=1S/C25H28N6O2.C25H27N5O2.C24H25N5O3.C23H23N5O4.C23H23N5O3/c1-15-5-6-21-18(9-15)16(2)32-22-10-17(12-28-24(22)27)23-19(29-31(4)20(23)11-26)7-8-25(33-21)13-30(3)14-25;1-15-5-6-21-18(11-15)16(2)31-22-12-17(14-28-24(22)27)23-19(29-30(3)20(23)13-26)7-10-25(32-21)8-4-9-25;1-14-4-5-20-17(8-14)15(2)31-21-9-16(11-27-23(21)26)22-18(28-29(3)19(22)10-25)6-7-24(32-20)12-30-13-24;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;1-13-4-5-18-16(8-13)14(2)30-19-9-15(11-26-21(19)25)20-17(10-24)28(3)27-22(20)29-12-23(31-18)6-7-23/h5-6,9-10,12,16H,7-8,13-14H2,1-4H3,(H2,27,28);5-6,11-12,14,16H,4,7-10H2,1-3H3,(H2,27,28);4-5,8-9,11,15H,6-7,12-13H2,1-3H3,(H2,26,27);4-7,9,14H,10-12H2,1-3H3,(H2,25,26);4-5,8-9,11,14H,6-7,12H2,1-3H3,(H2,25,26)/t2*16-;15-;2*14-/m11111/s1.
What are the key properties of (17R)-20-amino-1',4,14,17-tetramethylspiro[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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 2156.50 g/mol, XLogP of 18.12, 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[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-9,3'-azetidine]-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'-cyclobutane]-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-9,3'-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-9,1'-cyclopropane]-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 158353704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).