2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide

C26H20N4O2 — CID 71601488

IUPAC2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide
SMILESCn1cc(-c2cnc3ccc4ccc(CC(=O)Nc5ccccc5)cc4c(=O)c3c2)cn1
InChIInChI=1S/C26H20N4O2/c1-30-16-20(15-28-30)19-13-23-24(27-14-19)10-9-18-8-7-17(11-22(18)26(23)32)12-25(31)29-21-5-3-2-4-6-21/h2-11,13-16H,12H2,1H3,(H,29,31)
InChIKeyACUVOYJESJNPMD-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.33
Rot. Bonds4

About 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide

2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide (PubChem CID 71601488) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide
PubChem CID71601488
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide
SMILESCn1cc(-c2cnc3ccc4ccc(CC(=O)Nc5ccccc5)cc4c(=O)c3c2)cn1
InChIInChI=1S/C26H20N4O2/c1-30-16-20(15-28-30)19-13-23-24(27-14-19)10-9-18-8-7-17(11-22(18)26(23)32)12-25(31)29-21-5-3-2-4-6-21/h2-11,13-16H,12H2,1H3,(H,29,31)
InChIKeyACUVOYJESJNPMD-UHFFFAOYSA-N
XLogP4.33
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide (CID 71601488) is 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide is Cn1cc(-c2cnc3ccc4ccc(CC(=O)Nc5ccccc5)cc4c(=O)c3c2)cn1.
What is the InChIKey of 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide?
The InChIKey is ACUVOYJESJNPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-30-16-20(15-28-30)19-13-23-24(27-14-19)10-9-18-8-7-17(11-22(18)26(23)32)12-25(31)29-21-5-3-2-4-6-21/h2-11,13-16H,12H2,1H3,(H,29,31).
What are the key properties of 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide?
2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide has a molecular weight of 420.47 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-14-yl]-N-phenylacetamide is sourced from PubChem (CID 71601488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).