2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one

C18H18N4O2 — CID 24772013

IUPAC2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)CCc1cnccn1
InChIInChI=1S/C18H18N4O2/c23-16(5-4-13-10-19-7-8-20-13)22-9-6-12-2-1-3-14-17(12)15(22)11-21-18(14)24/h1-3,7-8,10,15H,4-6,9,11H2,(H,21,24)
InChIKeyGFHLWWHOLUWZLZ-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.28
Rot. Bonds3

About 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one

2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (PubChem CID 24772013) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.

Molecular Properties

Compound Name2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
PubChem CID24772013
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)CCc1cnccn1
InChIInChI=1S/C18H18N4O2/c23-16(5-4-13-10-19-7-8-20-13)22-9-6-12-2-1-3-14-17(12)15(22)11-21-18(14)24/h1-3,7-8,10,15H,4-6,9,11H2,(H,21,24)
InChIKeyGFHLWWHOLUWZLZ-UHFFFAOYSA-N
XLogP1.28
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzo[c][1,5]naphthyridin-6(5H)-one
CID 10535869
3-aminobenzo[c][1,5]naphthyridin-6(5H)-one
CID 16221809
N-cyclopropyl-3-[3-[4-(isoquinolin-4-ylamino)-5-oxo-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzamide
CID 53492943
N-[4-(4-quinolin-3-ylpiperazin-1-yl)butyl]benzamide
CID 57873499
N-[4-(4-aminopiperidin-1-yl)-5-(3,5-dimethylphenyl)-3-pyridinyl]benzamide
CID 118057678
N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3205996
2-(2-Pyridin-3-ylacetyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one
CID 24772834
2,6-dimethyl-N-[(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-pyridin-4-ylmethyl]benzamide
CID 145970099
[5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 155510505
(E)-3-[2-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-N-methylprop-2-enamide
CID 168294910
N-(3-{[(2-methylphenyl)carbonyl]amino}propyl)pyrazine-2-carboxamide
CID 6498580
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 2851703

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The IUPAC name of 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one (CID 24772013) is 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one.
What is the SMILES notation for 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The canonical SMILES for 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is O=C1NCC2c3c(cccc31)CCN2C(=O)CCc1cnccn1.
What is the InChIKey of 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
The InChIKey is GFHLWWHOLUWZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-16(5-4-13-10-19-7-8-20-13)22-9-6-12-2-1-3-14-17(12)15(22)11-21-18(14)24/h1-3,7-8,10,15H,4-6,9,11H2,(H,21,24).
What are the key properties of 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one?
2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one has a molecular weight of 322.37 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazin-2-ylpropanoyl)-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-10-one is sourced from PubChem (CID 24772013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).