6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

C24H26F2N6O2 — CID 171544967

IUPAC6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4cc(C)n5c4c(c3F)NC(=O)C5C)CC2)c(F)n1
InChIInChI=1S/C24H26F2N6O2/c1-13-10-15-11-16(19(25)20-21(15)32(13)14(2)23(33)29-20)12-30-6-8-31(9-7-30)18-5-4-17(24(34)27-3)28-22(18)26/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,27,34)(H,29,33)
InChIKeyHQCQHQSLQYOYBK-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.82
Rot. Bonds4

About 6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide

6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 171544967) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is 6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID171544967
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4cc(C)n5c4c(c3F)NC(=O)C5C)CC2)c(F)n1
InChIInChI=1S/C24H26F2N6O2/c1-13-10-15-11-16(19(25)20-21(15)32(13)14(2)23(33)29-20)12-30-6-8-31(9-7-30)18-5-4-17(24(34)27-3)28-22(18)26/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,27,34)(H,29,33)
InChIKeyHQCQHQSLQYOYBK-UHFFFAOYSA-N
XLogP2.82
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.82
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-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-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-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 171544967) is 6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc4cc(C)n5c4c(c3F)NC(=O)C5C)CC2)c(F)n1.
What is the InChIKey of 6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is HQCQHQSLQYOYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-13-10-15-11-16(19(25)20-21(15)32(13)14(2)23(33)29-20)12-30-6-8-31(9-7-30)18-5-4-17(24(34)27-3)28-22(18)26/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,27,34)(H,29,33).
What are the key properties of 6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide?
6-fluoro-5-[4-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 2.82, 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-[(7-fluoro-2,11-dimethyl-10-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 171544967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).