6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide

C23H25FN6O4 — CID 25254924

IUPAC6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide
SMILESNc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)NO)cn3C1(CCC1)CCO2
InChIInChI=1S/C23H25FN6O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)34-11-7-23(5-3-6-23)30(19)12-13(20(15)31)22(32)29-33/h1-2,4,8,12,28,33H,3,5-7,9-11,25H2,(H,26,27)(H,29,32)
InChIKeyOMULJEFQBTTYKU-UHFFFAOYSA-N
MW468.49 g/mol
LogP2.42
Rot. Bonds6

About 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide

6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide (PubChem CID 25254924) has the molecular formula C23H25FN6O4 and a molecular weight of 468.49 g/mol. Its IUPAC name is 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide.

Molecular Properties

Compound Name6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide
PubChem CID25254924
Molecular FormulaC23H25FN6O4
Molecular Weight468.49 g/mol
Exact Mass468.19
IUPAC Name6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide
SMILESNc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)NO)cn3C1(CCC1)CCO2
InChIInChI=1S/C23H25FN6O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)34-11-7-23(5-3-6-23)30(19)12-13(20(15)31)22(32)29-33/h1-2,4,8,12,28,33H,3,5-7,9-11,25H2,(H,26,27)(H,29,32)
InChIKeyOMULJEFQBTTYKU-UHFFFAOYSA-N
XLogP2.42
TPSA143.53 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 52.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide?
The IUPAC name of 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide (CID 25254924) is 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide.
What is the SMILES notation for 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide?
The canonical SMILES for 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide is Nc1c(F)c(NCCNc2ccccn2)c2c3c1c(=O)c(C(=O)NO)cn3C1(CCC1)CCO2.
What is the InChIKey of 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide?
The InChIKey is OMULJEFQBTTYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O4/c24-16-17(25)15-19-21(18(16)28-10-9-27-14-4-1-2-8-26-14)34-11-7-23(5-3-6-23)30(19)12-13(20(15)31)22(32)29-33/h1-2,4,8,12,28,33H,3,5-7,9-11,25H2,(H,26,27)(H,29,32).
What are the key properties of 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide?
6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide has a molecular weight of 468.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-fluoro-N-hydroxy-4-oxo-8-[2-(pyridin-2-ylamino)ethylamino]spiro[10-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-2,5,7,9(14)-tetraene-13,1'-cyclobutane]-3-carboxamide is sourced from PubChem (CID 25254924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).