CID 174260907

C25H21FN2O4Si — CID 174260907

IUPAC—
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C1[Si]C1CC3
InChIInChI=1S/C25H21FN2O4Si/c1-3-25(31)14-6-17-21-12(8-28(17)23(29)13(14)9-32-24(25)30)20-19-11(4-5-18-22(20)33-18)10(2)15(26)7-16(19)27-21/h6-7,18,22,31H,3-5,8-9H2,1-2H3/t18?,22?,25-/m0/s1
InChIKeyGBYGXWALTFSZRY-OSHJFMDRSA-N
MW460.54 g/mol
LogP3.02
Rot. Bonds1

About CID 174260907

CID 174260907 (PubChem CID 174260907) has the molecular formula C25H21FN2O4Si and a molecular weight of 460.54 g/mol.

Molecular Properties

Compound NameCID 174260907
PubChem CID174260907
Molecular FormulaC25H21FN2O4Si
Molecular Weight460.54 g/mol
Exact Mass460.13
IUPAC Name—
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C1[Si]C1CC3
InChIInChI=1S/C25H21FN2O4Si/c1-3-25(31)14-6-17-21-12(8-28(17)23(29)13(14)9-32-24(25)30)20-19-11(4-5-18-22(20)33-18)10(2)15(26)7-16(19)27-21/h6-7,18,22,31H,3-5,8-9H2,1-2H3/t18?,22?,25-/m0/s1
InChIKeyGBYGXWALTFSZRY-OSHJFMDRSA-N
XLogP3.02
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;10-ethyl-23-(ethylamino)-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 178033937
N-[(10S)-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]acetamide
CID 12067229
(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-23-[2-(hydroxymethyl)aziridin-1-yl]-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 167413934
(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(propan-2-ylamino)-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 139294937
3-amino-N-[(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]-N-methylpropanamide
CID 167413877
(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(prop-2-enylamino)-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 167273402
[(10S)-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]methylcarbamic acid
CID 170428702
ethane;(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-23-(oxomethylamino)-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;methanol;vanadium
CID 178046997
(10S)-10-ethyl-18-fluoro-10,19,23-trihydroxy-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 176814566
N-[(10S)-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]-2,2-dihydroxyacetamide
CID 163483841
3-amino-N-[(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]propanamide
CID 126589603
N-[(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]-5-oxopyrrolidine-2-carboxamide
CID 166119250

Frequently Asked Questions

What is the IUPAC name of CID 174260907?
The IUPAC name of CID 174260907 (CID 174260907) is not available.
What is the SMILES notation for CID 174260907?
The canonical SMILES for CID 174260907 is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C1[Si]C1CC3.
What is the InChIKey of CID 174260907?
The InChIKey is GBYGXWALTFSZRY-OSHJFMDRSA-N. The full InChI is InChI=1S/C25H21FN2O4Si/c1-3-25(31)14-6-17-21-12(8-28(17)23(29)13(14)9-32-24(25)30)20-19-11(4-5-18-22(20)33-18)10(2)15(26)7-16(19)27-21/h6-7,18,22,31H,3-5,8-9H2,1-2H3/t18?,22?,25-/m0/s1.
What are the key properties of CID 174260907?
CID 174260907 has a molecular weight of 460.54 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174260907 is sourced from PubChem (CID 174260907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).