2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

C19H16N4O2 — CID 139946229

IUPAC2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
SMILESCOc1ccc2[nH]cc(-c3nc4cccc5c4n3CCNC5=O)c2c1
InChIInChI=1S/C19H16N4O2/c1-25-11-5-6-15-13(9-11)14(10-21-15)18-22-16-4-2-3-12-17(16)23(18)8-7-20-19(12)24/h2-6,9-10,21H,7-8H2,1H3,(H,20,24)
InChIKeyABTPQYUIPFTBFQ-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.94
Rot. Bonds2

About 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one

2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one (PubChem CID 139946229) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
PubChem CID139946229
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
SMILESCOc1ccc2[nH]cc(-c3nc4cccc5c4n3CCNC5=O)c2c1
InChIInChI=1S/C19H16N4O2/c1-25-11-5-6-15-13(9-11)14(10-21-15)18-22-16-4-2-3-12-17(16)23(18)8-7-20-19(12)24/h2-6,9-10,21H,7-8H2,1H3,(H,20,24)
InChIKeyABTPQYUIPFTBFQ-UHFFFAOYSA-N
XLogP2.94
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-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

5-{[2-(Dimethylamino)ethyl]amino}-8-Methoxy-6h-Imidazo[4,5,1-De]acridin-6-One
CID 11681568
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 24853793
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-2-(5-methoxy-1H-indol-3-yl)-5-methyl-
CID 466844
10-[2-(Diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 367850
WH2PZ15Ppn
CID 438550
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]acetamide
CID 11700059
2-ethyl-1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-1H-1,3-benzodiazole
CID 24776346
1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-(2-methylpropyl)-1H-1,3-benzodiazole
CID 24776347
2-ethyl-1-[(3R)-1-[(5-methoxy-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776351
8-(1H-benzimidazole-4-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 72376211
methyl (2S)-2-[[1-cyclohexyl-2-(3-furyl)benzimidazole-5-carbonyl]amino]-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 491127

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one (CID 139946229) is 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one is COc1ccc2[nH]cc(-c3nc4cccc5c4n3CCNC5=O)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
The InChIKey is ABTPQYUIPFTBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-25-11-5-6-15-13(9-11)14(10-21-15)18-22-16-4-2-3-12-17(16)23(18)8-7-20-19(12)24/h2-6,9-10,21H,7-8H2,1H3,(H,20,24).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one?
2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one has a molecular weight of 332.36 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one is sourced from PubChem (CID 139946229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).