(10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione

C25H22FN3O4 — CID 170751765

IUPAC(10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione
SMILESCc1c(F)cc2nc3c(c4c2c1CCC41CCNC1)Cn1c-3cc2c(c1=O)COC(=O)[C@H]2O
InChIInChI=1S/C25H22FN3O4/c1-11-12-2-3-25(4-5-27-10-25)20-14-8-29-18(21(14)28-17(19(12)20)7-16(11)26)6-13-15(23(29)31)9-33-24(32)22(13)30/h6-7,22,27,30H,2-5,8-10H2,1H3/t22-,25?/m0/s1
InChIKeyYZBVQKNPHQMRNH-XADRRFQNSA-N
MW447.47 g/mol
LogP2.14
Rot. Bonds

About (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione

(10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione (PubChem CID 170751765) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione.

Molecular Properties

Compound Name(10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione
PubChem CID170751765
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name(10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione
SMILESCc1c(F)cc2nc3c(c4c2c1CCC41CCNC1)Cn1c-3cc2c(c1=O)COC(=O)[C@H]2O
InChIInChI=1S/C25H22FN3O4/c1-11-12-2-3-25(4-5-27-10-25)20-14-8-29-18(21(14)28-17(19(12)20)7-16(11)26)6-13-15(23(29)31)9-33-24(32)22(13)30/h6-7,22,27,30H,2-5,8-10H2,1H3/t22-,25?/m0/s1
InChIKeyYZBVQKNPHQMRNH-XADRRFQNSA-N
XLogP2.14
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione with MolForge

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Related Compounds

(10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-azetidine]-5,9-dione
CID 170751610
ethane;(10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-azetidine]-5,9-dione
CID 170751609
18-fluoro-10,23-dihydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 166490499
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.6.1.02,14.04,13.06,11.020,23]tricosa-1,6(11),12,14,16,18,20(23)-heptaene-5,9-dione
CID 166490463
(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-piperidine]-5,9-dione
CID 170751750
ethane;ethene;(10S)-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;methanamine
CID 170724281
ethane;(23S)-18-fluoro-10-hydroxy-19,23-dimethyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 176995303
ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione;formaldehyde;methoxymethane
CID 170975407
azetidin-3-ylmethanol;ethane;18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 171831173
18-fluoro-10-hydroxy-23-(hydroxymethyl)-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
CID 170751537
10-ethyl-6-fluoro-19-hydroxy-7,8-dimethyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
CID 156842132
N-[2-[2-[(18-fluoro-10-hydroxy-19,23-dimethyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl)methoxy]ethoxymethylamino]-2-oxoethyl]-2-(methylamino)acetamide
CID 170751644

Frequently Asked Questions

What is the IUPAC name of (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione?
The IUPAC name of (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione (CID 170751765) is (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione.
What is the SMILES notation for (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione?
The canonical SMILES for (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione is Cc1c(F)cc2nc3c(c4c2c1CCC41CCNC1)Cn1c-3cc2c(c1=O)COC(=O)[C@H]2O.
What is the InChIKey of (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione?
The InChIKey is YZBVQKNPHQMRNH-XADRRFQNSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-11-12-2-3-25(4-5-27-10-25)20-14-8-29-18(21(14)28-17(19(12)20)7-16(11)26)6-13-15(23(29)31)9-33-24(32)22(13)30/h6-7,22,27,30H,2-5,8-10H2,1H3/t22-,25?/m0/s1.
What are the key properties of (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione?
(10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione has a molecular weight of 447.47 g/mol, XLogP of 2.14, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-18-fluoro-10-hydroxy-19-methylspiro[8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-23,3'-pyrrolidine]-5,9-dione is sourced from PubChem (CID 170751765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).