(15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione

C23H29FN2O5 — CID 174260492

IUPAC(15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
SMILESO=C1N[C@]2(CCCN3C(=O)COc4ccccc4C4CCC(CC4)OC[C@H]32)COC1F
InChIInChI=1S/C23H29FN2O5/c24-21-22(28)25-23(14-31-21)10-3-11-26-19(23)12-29-16-8-6-15(7-9-16)17-4-1-2-5-18(17)30-13-20(26)27/h1-2,4-5,15-16,19,21H,3,6-14H2,(H,25,28)/t15?,16?,19-,21?,23+/m0/s1
InChIKeyQRZJWMLPWOTTEM-ANGZUAITSA-N
MW432.49 g/mol
LogP2.29
Rot. Bonds

About (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione

(15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione (PubChem CID 174260492) has the molecular formula C23H29FN2O5 and a molecular weight of 432.49 g/mol. Its IUPAC name is (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione.

Molecular Properties

Compound Name(15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
PubChem CID174260492
Molecular FormulaC23H29FN2O5
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name(15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
SMILESO=C1N[C@]2(CCCN3C(=O)COc4ccccc4C4CCC(CC4)OC[C@H]32)COC1F
InChIInChI=1S/C23H29FN2O5/c24-21-22(28)25-23(14-31-21)10-3-11-26-19(23)12-29-16-8-6-15(7-9-16)17-4-1-2-5-18(17)30-13-20(26)27/h1-2,4-5,15-16,19,21H,3,6-14H2,(H,25,28)/t15?,16?,19-,21?,23+/m0/s1
InChIKeyQRZJWMLPWOTTEM-ANGZUAITSA-N
XLogP2.29
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione with MolForge

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Related Compounds

2-(trifluoromethyl)spiro[1,3-oxazolidine-4,15'-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene]-10'-one
CID 177299736
(10S,15S,16R)-10-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione
CID 170605616
(9R,15R,16S)-9-methylspiro[8,18-dioxa-12-azatetracyclo[17.2.2.02,7.012,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',11-dione
CID 170605560
8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-10,15-dione
CID 170605485
(15S,16R)-4,6-difluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2(7),3,5-triene-15,5'-morpholine]-3',10-dione
CID 174260667
12-methylspiro[8,17-dioxa-11-azatetracyclo[16.2.2.02,7.011,15]docosa-2,4,6-triene-14,5'-morpholine]-3',10-dione
CID 174262169
(15S,16R)-15-(2-fluoroanilino)-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-10-one
CID 171646547
3-methylspiro[8,18-dioxa-6,11-diazatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione
CID 177299744
1-fluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 164799240
1,1-difluoro-N-[(16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]methanesulfonamide
CID 167117543
(3R)-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]oxolane-3-sulfonamide
CID 167145888
(2R)-1,1,1-trifluoro-N-[(15S,16R)-10-oxo-8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-trien-15-yl]propane-2-sulfonamide
CID 164799281

Frequently Asked Questions

What is the IUPAC name of (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione?
The IUPAC name of (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione (CID 174260492) is (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione.
What is the SMILES notation for (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione?
The canonical SMILES for (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione is O=C1N[C@]2(CCCN3C(=O)COc4ccccc4C4CCC(CC4)OC[C@H]32)COC1F.
What is the InChIKey of (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione?
The InChIKey is QRZJWMLPWOTTEM-ANGZUAITSA-N. The full InChI is InChI=1S/C23H29FN2O5/c24-21-22(28)25-23(14-31-21)10-3-11-26-19(23)12-29-16-8-6-15(7-9-16)17-4-1-2-5-18(17)30-13-20(26)27/h1-2,4-5,15-16,19,21H,3,6-14H2,(H,25,28)/t15?,16?,19-,21?,23+/m0/s1.
What are the key properties of (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione?
(15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione has a molecular weight of 432.49 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (15S,16R)-2'-fluorospiro[8,18-dioxa-11-azatetracyclo[17.2.2.02,7.011,16]tricosa-2,4,6-triene-15,5'-morpholine]-3',10-dione is sourced from PubChem (CID 174260492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).