18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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

C26H26FN3O5 — CID 166490528

IUPAC18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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
SMILESCc1c(F)cc2nc3c(c4c2c1CCC4(C)NCCO)Cn1c-3cc2c(c1=O)COC(=O)C2(C)O
InChIInChI=1S/C26H26FN3O5/c1-12-13-4-5-25(2,28-6-7-31)21-14-10-30-19(22(14)29-18(20(13)21)9-17(12)27)8-16-15(23(30)32)11-35-24(33)26(16,3)34/h8-9,28,31,34H,4-7,10-11H2,1-3H3
InChIKeyACRPPFHYURRPGK-UHFFFAOYSA-N
MW479.51 g/mol
LogP1.88
Rot. Bonds3

About 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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

18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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 (PubChem CID 166490528) has the molecular formula C26H26FN3O5 and a molecular weight of 479.51 g/mol. Its IUPAC name is 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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.

Molecular Properties

Compound Name18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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
PubChem CID166490528
Molecular FormulaC26H26FN3O5
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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
SMILESCc1c(F)cc2nc3c(c4c2c1CCC4(C)NCCO)Cn1c-3cc2c(c1=O)COC(=O)C2(C)O
InChIInChI=1S/C26H26FN3O5/c1-12-13-4-5-25(2,28-6-7-31)21-14-10-30-19(22(14)29-18(20(13)21)9-17(12)27)8-16-15(23(30)32)11-35-24(33)26(16,3)34/h8-9,28,31,34H,4-7,10-11H2,1-3H3
InChIKeyACRPPFHYURRPGK-UHFFFAOYSA-N
XLogP1.88
TPSA113.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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 with MolForge

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Related Compounds

(10S,23R)-23-amino-18-fluoro-10-hydroxy-10,19,23-trimethyl-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 170440037
(10S,23R)-23-amino-10-ethyl-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;hydrochloride
CID 172562371
(10S,23S)-18-fluoro-10-hydroxy-10,19-dimethyl-23-(methylamino)-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 144604537
(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-sulfanyl-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 174149217
(10S,23R)-10-ethyl-18-fluoro-10-hydroxy-23-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]-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 170751947
(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
N-[(10S,23S)-18-fluoro-10-hydroxy-10,19-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]-3-hydroxy-2-methylbutanamide
CID 170039860
(10S)-10-ethyl-18-fluoro-10-hydroxy-1'-(2-hydroxyacetyl)-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 170751801
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
(10S,23E)-23-(2-aminoethylidene)-10-ethyl-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 170741545
(10S)-10-ethyl-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),21-octaene-5,9,23-trione
CID 170741578
4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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]amino]-5-(2-hydroxyethylamino)cyclopent-4-ene-1,2,3-trione
CID 177087498

Frequently Asked Questions

What is the IUPAC name of 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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?
The IUPAC name of 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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 166490528) is 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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.
What is the SMILES notation for 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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?
The canonical SMILES for 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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 is Cc1c(F)cc2nc3c(c4c2c1CCC4(C)NCCO)Cn1c-3cc2c(c1=O)COC(=O)C2(C)O.
What is the InChIKey of 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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?
The InChIKey is ACRPPFHYURRPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O5/c1-12-13-4-5-25(2,28-6-7-31)21-14-10-30-19(22(14)29-18(20(13)21)9-17(12)27)8-16-15(23(30)32)11-35-24(33)26(16,3)34/h8-9,28,31,34H,4-7,10-11H2,1-3H3.
What are the key properties of 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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?
18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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 has a molecular weight of 479.51 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 18-fluoro-10-hydroxy-23-(2-hydroxyethylamino)-10,19,23-trimethyl-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 is sourced from PubChem (CID 166490528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).