9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide

C24H25FN4O7 — CID 123735517

IUPAC9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide
SMILESCN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)CC(=O)c3c(O)cc(-c4ncc[nH]4)c(F)c3CCCC12
InChIInChI=1S/C24H25FN4O7/c1-29(2)19-12-5-3-4-10-16(13(30)8-11(18(10)25)23-27-6-7-28-23)14(31)9-15(32)24(12,36)21(34)17(20(19)33)22(26)35/h6-8,12,17,19,30,36H,3-5,9H2,1-2H3,(H2,26,35)(H,27,28)
InChIKeyNKNNFUFULVNWDZ-UHFFFAOYSA-N
MW500.48 g/mol
LogP-0.07
Rot. Bonds3

About 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide

9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide (PubChem CID 123735517) has the molecular formula C24H25FN4O7 and a molecular weight of 500.48 g/mol. Its IUPAC name is 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide.

Molecular Properties

Compound Name9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide
PubChem CID123735517
Molecular FormulaC24H25FN4O7
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC Name9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide
SMILESCN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)CC(=O)c3c(O)cc(-c4ncc[nH]4)c(F)c3CCCC12
InChIInChI=1S/C24H25FN4O7/c1-29(2)19-12-5-3-4-10-16(13(30)8-11(18(10)25)23-27-6-7-28-23)14(31)9-15(32)24(12,36)21(34)17(20(19)33)22(26)35/h6-8,12,17,19,30,36H,3-5,9H2,1-2H3,(H2,26,35)(H,27,28)
InChIKeyNKNNFUFULVNWDZ-UHFFFAOYSA-N
XLogP-0.07
TPSA183.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide?
The IUPAC name of 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide (CID 123735517) is 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide.
What is the SMILES notation for 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide?
The canonical SMILES for 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide is CN(C)C1C(=O)C(C(N)=O)C(=O)C2(O)C(=O)CC(=O)c3c(O)cc(-c4ncc[nH]4)c(F)c3CCCC12.
What is the InChIKey of 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide?
The InChIKey is NKNNFUFULVNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O7/c1-29(2)19-12-5-3-4-10-16(13(30)8-11(18(10)25)23-27-6-7-28-23)14(31)9-15(32)24(12,36)21(34)17(20(19)33)22(26)35/h6-8,12,17,19,30,36H,3-5,9H2,1-2H3,(H2,26,35)(H,27,28).
What are the key properties of 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide?
9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide has a molecular weight of 500.48 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(dimethylamino)-15-fluoro-5,18-dihydroxy-16-(1H-imidazol-2-yl)-2,4,6,8-tetraoxotricyclo[12.4.0.05,10]octadeca-1(18),14,16-triene-7-carboxamide is sourced from PubChem (CID 123735517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).