(5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione

C26H19N3O6 — CID 146275688

IUPAC(5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1cccnc1)OCO3
InChIInChI=1S/C26H19N3O6/c1-2-26(32)17-7-19-23-15(10-29(19)24(30)16(17)11-33-25(26)31)22(13-4-3-5-27-9-13)14-6-20-21(35-12-34-20)8-18(14)28-23/h3-9,32H,2,10-12H2,1H3/t26-/m0/s1
InChIKeyNAFARKWKBRQIHY-SANMLTNESA-N
MW469.45 g/mol
LogP2.87
Rot. Bonds2

About (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione

(5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione (PubChem CID 146275688) has the molecular formula C26H19N3O6 and a molecular weight of 469.45 g/mol. Its IUPAC name is (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
PubChem CID146275688
Molecular FormulaC26H19N3O6
Molecular Weight469.45 g/mol
Exact Mass469.13
IUPAC Name(5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1cccnc1)OCO3
InChIInChI=1S/C26H19N3O6/c1-2-26(32)17-7-19-23-15(10-29(19)24(30)16(17)11-33-25(26)31)22(13-4-3-5-27-9-13)14-6-20-21(35-12-34-20)8-18(14)28-23/h3-9,32H,2,10-12H2,1H3/t26-/m0/s1
InChIKeyNAFARKWKBRQIHY-SANMLTNESA-N
XLogP2.87
TPSA112.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione?
The IUPAC name of (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione (CID 146275688) is (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione.
What is the SMILES notation for (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione?
The canonical SMILES for (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2-c1cccnc1)OCO3.
What is the InChIKey of (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione?
The InChIKey is NAFARKWKBRQIHY-SANMLTNESA-N. The full InChI is InChI=1S/C26H19N3O6/c1-2-26(32)17-7-19-23-15(10-29(19)24(30)16(17)11-33-25(26)31)22(13-4-3-5-27-9-13)14-6-20-21(35-12-34-20)8-18(14)28-23/h3-9,32H,2,10-12H2,1H3/t26-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione?
(5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione has a molecular weight of 469.45 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-hydroxy-14-pyridin-3-yl-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione is sourced from PubChem (CID 146275688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).