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-(pyridin-2-ylmethyl)acetamide

C26H21N5O2 — CID 71601636

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-(pyridin-2-ylmethyl)acetamide
SMILESCn1cc(-c2cnc3ccc4ccc(CC(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1
InChIInChI=1S/C26H21N5O2/c1-31-16-20(14-30-31)19-12-23-24(28-13-19)8-7-18-6-5-17(10-22(18)26(23)33)11-25(32)29-15-21-4-2-3-9-27-21/h2-10,12-14,16H,11,15H2,1H3,(H,29,32)
InChIKeyFSWZFTVJPPJUJY-UHFFFAOYSA-N
MW435.49 g/mol
LogP3.40
Rot. Bonds5

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-(pyridin-2-ylmethyl)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]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 71601636) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 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-(pyridin-2-ylmethyl)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]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID71601636
Molecular FormulaC26H21N5O2
Molecular Weight435.49 g/mol
Exact Mass435.17
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-(pyridin-2-ylmethyl)acetamide
SMILESCn1cc(-c2cnc3ccc4ccc(CC(=O)NCc5ccccn5)cc4c(=O)c3c2)cn1
InChIInChI=1S/C26H21N5O2/c1-31-16-20(14-30-31)19-12-23-24(28-13-19)8-7-18-6-5-17(10-22(18)26(23)33)11-25(32)29-15-21-4-2-3-9-27-21/h2-10,12-14,16H,11,15H2,1H3,(H,29,32)
InChIKeyFSWZFTVJPPJUJY-UHFFFAOYSA-N
XLogP3.40
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(pyridin-2-ylmethyl)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]-N-(pyridin-2-ylmethyl)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]-N-(pyridin-2-ylmethyl)acetamide (CID 71601636) 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-(pyridin-2-ylmethyl)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]-N-(pyridin-2-ylmethyl)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]-N-(pyridin-2-ylmethyl)acetamide is Cn1cc(-c2cnc3ccc4ccc(CC(=O)NCc5ccccn5)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-(pyridin-2-ylmethyl)acetamide?
The InChIKey is FSWZFTVJPPJUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-31-16-20(14-30-31)19-12-23-24(28-13-19)8-7-18-6-5-17(10-22(18)26(23)33)11-25(32)29-15-21-4-2-3-9-27-21/h2-10,12-14,16H,11,15H2,1H3,(H,29,32).
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-(pyridin-2-ylmethyl)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]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 435.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 71601636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).