4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one

C21H18N6O2 — CID 46960097

IUPAC4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one
SMILESO=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCc2ccccc21
InChIInChI=1S/C21H18N6O2/c28-18(24-11-9-14-5-1-3-7-16(14)24)13-26-21(29)27-17-8-4-2-6-15(17)19-22-10-12-25(19)20(27)23-26/h1-8H,9-13H2
InChIKeyROLOAAMVPIRXFQ-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.20
Rot. Bonds2

About 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one

4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one (PubChem CID 46960097) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one
PubChem CID46960097
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one
SMILESO=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCc2ccccc21
InChIInChI=1S/C21H18N6O2/c28-18(24-11-9-14-5-1-3-7-16(14)24)13-26-21(29)27-17-8-4-2-6-15(17)19-22-10-12-25(19)20(27)23-26/h1-8H,9-13H2
InChIKeyROLOAAMVPIRXFQ-UHFFFAOYSA-N
XLogP1.20
TPSA75.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-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

N-cyclopentyl-2-(5-oxo-1,3,4,6,14-pentazatetracyclo[11.4.0.02,6.07,12]heptadeca-2,7,9,11,13-pentaen-4-yl)acetamide
CID 95802865
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione
CID 2207715
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71910003
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2437704
1-(2,3-dihydroindol-1-yl)-2-(3-phenylindazol-1-yl)ethanone
CID 20877555
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 47088436
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659550
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one?
The IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one (CID 46960097) is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one.
What is the SMILES notation for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one?
The canonical SMILES for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one is O=C(Cn1nc2n(c1=O)-c1ccccc1C1=NCCN12)N1CCc2ccccc21.
What is the InChIKey of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one?
The InChIKey is ROLOAAMVPIRXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-18(24-11-9-14-5-1-3-7-16(14)24)13-26-21(29)27-17-8-4-2-6-15(17)19-22-10-12-25(19)20(27)23-26/h1-8H,9-13H2.
What are the key properties of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one?
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one has a molecular weight of 386.42 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,10,12,14-pentaen-3-one is sourced from PubChem (CID 46960097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).