ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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

C30H36FN3O5 — CID 170751655

IUPACethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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
SMILESCC.Cc1c(F)cc2nc3c(c4c2c1CC[C@H]4CCCN(C)CCO)Cn1c-3cc2c(c1=O)COC(=O)C2O
InChIInChI=1S/C28H30FN3O5.C2H6/c1-14-16-6-5-15(4-3-7-31(2)8-9-33)23-18-12-32-22(25(18)30-21(24(16)23)11-20(14)29)10-17-19(27(32)35)13-37-28(36)26(17)34;1-2/h10-11,15,26,33-34H,3-9,12-13H2,1-2H3;1-2H3/t15-,26?;/m1./s1
InChIKeyFESWIHCYYMBQQW-WUHNRIFGSA-N
MW537.63 g/mol
LogP3.72
Rot. Bonds6

About ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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

ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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 (PubChem CID 170751655) has the molecular formula C30H36FN3O5 and a molecular weight of 537.63 g/mol. Its IUPAC name is ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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.

Molecular Properties

Compound Nameethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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
PubChem CID170751655
Molecular FormulaC30H36FN3O5
Molecular Weight537.63 g/mol
Exact Mass537.26
IUPAC Nameethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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
SMILESCC.Cc1c(F)cc2nc3c(c4c2c1CC[C@H]4CCCN(C)CCO)Cn1c-3cc2c(c1=O)COC(=O)C2O
InChIInChI=1S/C28H30FN3O5.C2H6/c1-14-16-6-5-15(4-3-7-31(2)8-9-33)23-18-12-32-22(25(18)30-21(24(16)23)11-20(14)29)10-17-19(27(32)35)13-37-28(36)26(17)34;1-2/h10-11,15,26,33-34H,3-9,12-13H2,1-2H3;1-2H3/t15-,26?;/m1./s1
InChIKeyFESWIHCYYMBQQW-WUHNRIFGSA-N
XLogP3.72
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.63
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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 with MolForge

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Related Compounds

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
(10S,23S)-18-fluoro-10-hydroxy-19-methyl-23-[2-(methylamino)ethyl]-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 170751696
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
6-fluoro-19-hydroxy-10-[2-[2-hydroxyethyl(methyl)amino]ethyl]-7-methyl-8-propyl-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 170751523
ethane;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;4-hydroxybutanamide
CID 166490531
23-(1-amino-3-hydroxypropyl)-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;ethane
CID 172562399
23-(1-amino-2-hydroxyethyl)-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;ethane
CID 172562350
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
22-amino-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;ethane
CID 166490430
ethane;(23R)-18-fluoro-10-hydroxy-19-methyl-23-(2-oxopyrrolidin-1-yl)-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 170752005
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;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;2-hydroxyacetamide
CID 164599847

Frequently Asked Questions

What is the IUPAC name of ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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?
The IUPAC name of ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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 170751655) is ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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.
What is the SMILES notation for ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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?
The canonical SMILES for ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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 is CC.Cc1c(F)cc2nc3c(c4c2c1CC[C@H]4CCCN(C)CCO)Cn1c-3cc2c(c1=O)COC(=O)C2O.
What is the InChIKey of ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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?
The InChIKey is FESWIHCYYMBQQW-WUHNRIFGSA-N. The full InChI is InChI=1S/C28H30FN3O5.C2H6/c1-14-16-6-5-15(4-3-7-31(2)8-9-33)23-18-12-32-22(25(18)30-21(24(16)23)11-20(14)29)10-17-19(27(32)35)13-37-28(36)26(17)34;1-2/h10-11,15,26,33-34H,3-9,12-13H2,1-2H3;1-2H3/t15-,26?;/m1./s1.
What are the key properties of ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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?
ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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 has a molecular weight of 537.63 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(23S)-18-fluoro-10-hydroxy-23-[3-[2-hydroxyethyl(methyl)amino]propyl]-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 is sourced from PubChem (CID 170751655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).