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]acetamide

C20H16N4O2 — CID 71601485

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]acetamide
SMILESCn1cc(-c2cnc3ccc4ccc(CC(N)=O)cc4c(=O)c3c2)cn1
InChIInChI=1S/C20H16N4O2/c1-24-11-15(10-23-24)14-8-17-18(22-9-14)5-4-13-3-2-12(7-19(21)25)6-16(13)20(17)26/h2-6,8-11H,7H2,1H3,(H2,21,25)
InChIKeyUAYZHKCXTSZNKM-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.18
Rot. Bonds3

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]acetamide

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]acetamide (PubChem CID 71601485) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 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]acetamide.

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]acetamide
PubChem CID71601485
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
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]acetamide
SMILESCn1cc(-c2cnc3ccc4ccc(CC(N)=O)cc4c(=O)c3c2)cn1
InChIInChI=1S/C20H16N4O2/c1-24-11-15(10-23-24)14-8-17-18(22-9-14)5-4-13-3-2-12(7-19(21)25)6-16(13)20(17)26/h2-6,8-11H,7H2,1H3,(H2,21,25)
InChIKeyUAYZHKCXTSZNKM-UHFFFAOYSA-N
XLogP2.18
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.18
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]acetamide 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]acetamide?
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]acetamide (CID 71601485) 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]acetamide.
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]acetamide?
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]acetamide is Cn1cc(-c2cnc3ccc4ccc(CC(N)=O)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]acetamide?
The InChIKey is UAYZHKCXTSZNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-11-15(10-23-24)14-8-17-18(22-9-14)5-4-13-3-2-12(7-19(21)25)6-16(13)20(17)26/h2-6,8-11H,7H2,1H3,(H2,21,25).
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]acetamide?
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]acetamide has a molecular weight of 344.37 g/mol, XLogP of 2.18, 3 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]acetamide is sourced from PubChem (CID 71601485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).