(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

C24H26N6O3 — CID 122434307

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
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CN(C)C1)O2
InChIInChI=1S/C24H26N6O3/c1-14-5-6-19-17(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/h5-8,10,15H,11-13H2,1-4H3,(H2,26,27)/t15-/m1/s1
InChIKeyXQMKKBQRLOYWQA-OAHLLOKOSA-N
MW446.51 g/mol
LogP2.84
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

(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 (PubChem CID 122434307) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 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.

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
PubChem CID122434307
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
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
SMILESCc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CN(C)C1)O2
InChIInChI=1S/C24H26N6O3/c1-14-5-6-19-17(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/h5-8,10,15H,11-13H2,1-4H3,(H2,26,27)/t15-/m1/s1
InChIKeyXQMKKBQRLOYWQA-OAHLLOKOSA-N
XLogP2.84
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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 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?
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 (CID 122434307) 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.
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?
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 is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCC1(CN(C)C1)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?
The InChIKey is XQMKKBQRLOYWQA-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-14-5-6-19-17(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/h5-8,10,15H,11-13H2,1-4H3,(H2,26,27)/t15-/m1/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?
(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 has a molecular weight of 446.51 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 122434307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).