cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium

C18H21FN4O2U — CID 163252319

IUPACcyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium
SMILESC1CC1.COc1ncc(F)cc1-c1cc2cc(N(C)O)ncc2n1C.[U]
InChIInChI=1S/C15H15FN4O2.C3H6.U/c1-19-12(11-6-10(16)7-18-15(11)22-3)4-9-5-14(20(2)21)17-8-13(9)19;1-2-3-1;/h4-8,21H,1-3H3;1-3H2;
InChIKeyKWZBQWDGEIBDTB-UHFFFAOYSA-N
MW582.42 g/mol
LogP3.78
Rot. Bonds3

About cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium

cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium (PubChem CID 163252319) has the molecular formula C18H21FN4O2U and a molecular weight of 582.42 g/mol. Its IUPAC name is cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium.

Molecular Properties

Compound Namecyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium
PubChem CID163252319
Molecular FormulaC18H21FN4O2U
Molecular Weight582.42 g/mol
Exact Mass582.22
IUPAC Namecyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium
SMILESC1CC1.COc1ncc(F)cc1-c1cc2cc(N(C)O)ncc2n1C.[U]
InChIInChI=1S/C15H15FN4O2.C3H6.U/c1-19-12(11-6-10(16)7-18-15(11)22-3)4-9-5-14(20(2)21)17-8-13(9)19;1-2-3-1;/h4-8,21H,1-3H3;1-3H2;
InChIKeyKWZBQWDGEIBDTB-UHFFFAOYSA-N
XLogP3.78
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium?
The IUPAC name of cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium (CID 163252319) is cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium.
What is the SMILES notation for cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium?
The canonical SMILES for cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium is C1CC1.COc1ncc(F)cc1-c1cc2cc(N(C)O)ncc2n1C.[U].
What is the InChIKey of cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium?
The InChIKey is KWZBQWDGEIBDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2.C3H6.U/c1-19-12(11-6-10(16)7-18-15(11)22-3)4-9-5-14(20(2)21)17-8-13(9)19;1-2-3-1;/h4-8,21H,1-3H3;1-3H2;.
What are the key properties of cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium?
cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium has a molecular weight of 582.42 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium is sourced from PubChem (CID 163252319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).