(10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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

C26H25FN2O5 — CID 170288504

IUPAC(10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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
SMILESCC[C@@]1(O)C(=O)CCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(OCCO)C3
InChIInChI=1S/C26H25FN2O5/c1-3-26(33)16-9-19-24-15(11-29(19)25(32)13(16)4-5-21(26)31)23-20(34-7-6-30)8-14-12(2)17(27)10-18(28-24)22(14)23/h9-10,20,30,33H,3-8,11H2,1-2H3/t20?,26-/m0/s1
InChIKeyVNIMCOHYYKZTGS-GHZUAHJPSA-N
MW464.49 g/mol
LogP2.59
Rot. Bonds4

About (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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

(10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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 (PubChem CID 170288504) has the molecular formula C26H25FN2O5 and a molecular weight of 464.49 g/mol. Its IUPAC name is (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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.

Molecular Properties

Compound Name(10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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
PubChem CID170288504
Molecular FormulaC26H25FN2O5
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name(10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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
SMILESCC[C@@]1(O)C(=O)CCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(OCCO)C3
InChIInChI=1S/C26H25FN2O5/c1-3-26(33)16-9-19-24-15(11-29(19)25(32)13(16)4-5-21(26)31)23-20(34-7-6-30)8-14-12(2)17(27)10-18(28-24)22(14)23/h9-10,20,30,33H,3-8,11H2,1-2H3/t20?,26-/m0/s1
InChIKeyVNIMCOHYYKZTGS-GHZUAHJPSA-N
XLogP2.59
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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?
The IUPAC name of (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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 170288504) is (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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.
What is the SMILES notation for (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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?
The canonical SMILES for (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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 is CC[C@@]1(O)C(=O)CCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(OCCO)C3.
What is the InChIKey of (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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?
The InChIKey is VNIMCOHYYKZTGS-GHZUAHJPSA-N. The full InChI is InChI=1S/C26H25FN2O5/c1-3-26(33)16-9-19-24-15(11-29(19)25(32)13(16)4-5-21(26)31)23-20(34-7-6-30)8-14-12(2)17(27)10-18(28-24)22(14)23/h9-10,20,30,33H,3-8,11H2,1-2H3/t20?,26-/m0/s1.
What are the key properties of (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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?
(10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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 has a molecular weight of 464.49 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-ethyl-18-fluoro-10-hydroxy-22-(2-hydroxyethoxy)-19-methyl-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 is sourced from PubChem (CID 170288504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).