(2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone

C24H16N4O4 — CID 102125290

IUPAC(2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone
SMILESO=C1NC(=O)[C@@H]2c3c([nH]c4ccccc34)[C@@]3(c4c[nH]c5ccccc45)C(=O)NC(=O)[C@H]3[C@H]12
InChIInChI=1S/C24H16N4O4/c29-20-16-15-11-6-2-4-8-14(11)26-19(15)24(12-9-25-13-7-3-1-5-10(12)13)18(17(16)21(30)27-20)22(31)28-23(24)32/h1-9,16-18,25-26H,(H,27,29,30)(H,28,31,32)/t16-,17-,18-,24+/m1/s1
InChIKeyZGTNSUPREAXUQT-RTPKDJLFSA-N
MW424.42 g/mol
LogP1.58
Rot. Bonds1

About (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone

(2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone (PubChem CID 102125290) has the molecular formula C24H16N4O4 and a molecular weight of 424.42 g/mol. Its IUPAC name is (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone.

Molecular Properties

Compound Name(2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone
PubChem CID102125290
Molecular FormulaC24H16N4O4
Molecular Weight424.42 g/mol
Exact Mass424.12
IUPAC Name(2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone
SMILESO=C1NC(=O)[C@@H]2c3c([nH]c4ccccc34)[C@@]3(c4c[nH]c5ccccc45)C(=O)NC(=O)[C@H]3[C@H]12
InChIInChI=1S/C24H16N4O4/c29-20-16-15-11-6-2-4-8-14(11)26-19(15)24(12-9-25-13-7-3-1-5-10(12)13)18(17(16)21(30)27-20)22(31)28-23(24)32/h1-9,16-18,25-26H,(H,27,29,30)(H,28,31,32)/t16-,17-,18-,24+/m1/s1
InChIKeyZGTNSUPREAXUQT-RTPKDJLFSA-N
XLogP1.58
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone 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

3,13,18-triazahexacyclo[14.6.1.02,10.04,9.011,15.019,23]tricosa-1(23),2(10),4,6,8,16,19,21-octaene-12,14-dione
CID 75051806
(3S)-3-hydroxy-3-(1H-indol-3-yl)-1H-indol-2-one
CID 757506
3-anilino-5,5-dimethyl-2-[(1R,2S)-2,3,3-triphenyl-2,4-dihydro-1H-cyclopenta[b]indol-1-yl]cyclohex-2-en-1-one
CID 139193625
2-hydroxy-2-(1H-indol-3-yl)acenaphthylen-1-one
CID 155935668
(5S)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484828
(5R)-5-(1H-indol-3-yl)-1,3-oxazolidine-2,4-dione
CID 125484827
(3S,4R)-3-(4-azatricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
CID 70868103
3-(1H-indol-3-ylmethyl)-1-(2-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid
CID 3821930
(1R,3R)-2-bromo-1,3-bis(1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 155816934
27,27-bis(1H-indol-3-yl)-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 139236776
1H-3,1-benzoxazine-2,4-dione;hydrochloride
CID 142025242
1-benzyl-3,3-bis(1H-indol-3-yl)-4-methoxypyrrolidine-2,5-dione
CID 10742140

Frequently Asked Questions

What is the IUPAC name of (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone?
The IUPAC name of (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone (CID 102125290) is (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone.
What is the SMILES notation for (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone?
The canonical SMILES for (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone is O=C1NC(=O)[C@@H]2c3c([nH]c4ccccc34)[C@@]3(c4c[nH]c5ccccc45)C(=O)NC(=O)[C@H]3[C@H]12.
What is the InChIKey of (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone?
The InChIKey is ZGTNSUPREAXUQT-RTPKDJLFSA-N. The full InChI is InChI=1S/C24H16N4O4/c29-20-16-15-11-6-2-4-8-14(11)26-19(15)24(12-9-25-13-7-3-1-5-10(12)13)18(17(16)21(30)27-20)22(31)28-23(24)32/h1-9,16-18,25-26H,(H,27,29,30)(H,28,31,32)/t16-,17-,18-,24+/m1/s1.
What are the key properties of (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone?
(2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone has a molecular weight of 424.42 g/mol, XLogP of 1.58, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S,7R,11S)-2-(1H-indol-3-yl)-4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5,8,10-tetrone is sourced from PubChem (CID 102125290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).