3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione

C20H13ClN4O2 — CID 177371379

IUPAC3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c[nH]c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C20H13ClN4O2/c1-25-9-14(12-3-2-6-22-18(12)25)17-16(19(26)24-20(17)27)13-8-23-15-7-10(21)4-5-11(13)15/h2-9,23H,1H3,(H,24,26,27)
InChIKeyKHKXZLWMIAJYPR-UHFFFAOYSA-N
MW376.80 g/mol
LogP3.28
Rot. Bonds2

About 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione

3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 177371379) has the molecular formula C20H13ClN4O2 and a molecular weight of 376.80 g/mol. Its IUPAC name is 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID177371379
Molecular FormulaC20H13ClN4O2
Molecular Weight376.80 g/mol
Exact Mass376.07
IUPAC Name3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c[nH]c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21
InChIInChI=1S/C20H13ClN4O2/c1-25-9-14(12-3-2-6-22-18(12)25)17-16(19(26)24-20(17)27)13-8-23-15-7-10(21)4-5-11(13)15/h2-9,23H,1H3,(H,24,26,27)
InChIKeyKHKXZLWMIAJYPR-UHFFFAOYSA-N
XLogP3.28
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione 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

Bis-(Indole)maleimide Pyridinophane
CID 16734945
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)butanoylamino]benzamide
CID 119081415
2-(6-chloro-1-methylindol-3-yl)-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71288693
1-(5-chloro-2-ethylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 72737634
1-(5-chloro-2-methylphenyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73056517
1-[2-chloro-5-(trifluoromethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrole-2-carboxamide
CID 73057443
3-(1-methyl-1H-indol-3-yl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327669
3-(6-chloro-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327683
3-(2-Chloro-phenyl)-4-[1-(3-dimethylamino-propyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-pyrrole-2,5-dione
CID 10001523
Indolylylmaleimide 1
CID 10206423
17,20-Dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione
CID 10297128
3-chloro-N-((1R,2S)-2-(4-(2-((dimethylamino)methyl)-1H-imidazol-1-yl)benzamido)cyclopentyl)-1H-indole-6-carboxamide
CID 11168063

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione (CID 177371379) is 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c[nH]c4cc(Cl)ccc34)C(=O)NC2=O)c2cccnc21.
What is the InChIKey of 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is KHKXZLWMIAJYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4O2/c1-25-9-14(12-3-2-6-22-18(12)25)17-16(19(26)24-20(17)27)13-8-23-15-7-10(21)4-5-11(13)15/h2-9,23H,1H3,(H,24,26,27).
What are the key properties of 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 376.80 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-indol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 177371379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).