6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C23H24F2N6O2 — CID 171545008

IUPAC6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)c(F)cn5C(C)C(=O)N4)CC2)c(F)n1
InChIInChI=1S/C23H24F2N6O2/c1-13-22(32)28-18-10-14(9-15-16(24)12-31(13)20(15)18)11-29-5-7-30(8-6-29)19-4-3-17(23(33)26-2)27-21(19)25/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,26,33)(H,28,32)
InChIKeyFPFIRYKJDPZIMZ-UHFFFAOYSA-N
MW454.48 g/mol
LogP2.51
Rot. Bonds4

About 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 171545008) has the molecular formula C23H24F2N6O2 and a molecular weight of 454.48 g/mol. Its IUPAC name is 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID171545008
Molecular FormulaC23H24F2N6O2
Molecular Weight454.48 g/mol
Exact Mass454.19
IUPAC Name6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)c(F)cn5C(C)C(=O)N4)CC2)c(F)n1
InChIInChI=1S/C23H24F2N6O2/c1-13-22(32)28-18-10-14(9-15-16(24)12-31(13)20(15)18)11-29-5-7-30(8-6-29)19-4-3-17(23(33)26-2)27-21(19)25/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,26,33)(H,28,32)
InChIKeyFPFIRYKJDPZIMZ-UHFFFAOYSA-N
XLogP2.51
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 171545008) is 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc4c5c(c3)c(F)cn5C(C)C(=O)N4)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is FPFIRYKJDPZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O2/c1-13-22(32)28-18-10-14(9-15-16(24)12-31(13)20(15)18)11-29-5-7-30(8-6-29)19-4-3-17(23(33)26-2)27-21(19)25/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,26,33)(H,28,32).
What are the key properties of 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[4-[(3-fluoro-11-methyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171545008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).