(1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine

C26H20ClN7O — CID 130204740

IUPAC(1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine
SMILESC/C(=N\C(N)=N\c1ccnc(C#N)c1)c1cc(C#N)c2c(c1)CCN2C(=O)Cc1ccccc1Cl
InChIInChI=1S/C26H20ClN7O/c1-16(32-26(30)33-21-6-8-31-22(13-21)15-29)19-10-18-7-9-34(25(18)20(11-19)14-28)24(35)12-17-4-2-3-5-23(17)27/h2-6,8,10-11,13H,7,9,12H2,1H3,(H2,30,31,33)/b32-16+
InChIKeyISBXGOQMESQVLQ-KPGMTVGESA-N
MW481.95 g/mol
LogP4.07
Rot. Bonds4

About (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine

(1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine (PubChem CID 130204740) has the molecular formula C26H20ClN7O and a molecular weight of 481.95 g/mol. Its IUPAC name is (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine.

Molecular Properties

Compound Name(1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine
PubChem CID130204740
Molecular FormulaC26H20ClN7O
Molecular Weight481.95 g/mol
Exact Mass481.14
IUPAC Name(1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine
SMILESC/C(=N\C(N)=N\c1ccnc(C#N)c1)c1cc(C#N)c2c(c1)CCN2C(=O)Cc1ccccc1Cl
InChIInChI=1S/C26H20ClN7O/c1-16(32-26(30)33-21-6-8-31-22(13-21)15-29)19-10-18-7-9-34(25(18)20(11-19)14-28)24(35)12-17-4-2-3-5-23(17)27/h2-6,8,10-11,13H,7,9,12H2,1H3,(H2,30,31,33)/b32-16+
InChIKeyISBXGOQMESQVLQ-KPGMTVGESA-N
XLogP4.07
TPSA131.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.95
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine 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-bromo-4-pyridinyl)-1-[2-(2-chlorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
CID 150444694
1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile
CID 130204755
1-[2-(2-chlorophenyl)acetyl]-5-[2-(1H-pyrazol-4-ylamino)-4-pyridinyl]-2,3-dihydroindole-7-carbonitrile;1-[2-(2-chlorophenyl)acetyl]-5-pyridin-4-yl-2,3-dihydroindole-7-carbonitrile
CID 145344002
(1E)-1-[1-[1-[2-(2-chloro-3-pyridinyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]propylidene]-2-methyl-3-(oxetan-3-yl)guanidine;ethane
CID 145343966
(Z)-3-(cyanoamino)-N'-[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]prop-2-enimidamide
CID 145343896
1-[2-(2-bromophenyl)acetyl]-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204511
4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]-2-fluorobenzamide
CID 130204524
2-(2-chlorophenyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 138514289
4-acetyl-2-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]benzonitrile
CID 133442826
N-[4-[[4-[7-cyano-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindol-5-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 175097377
1-[2-(2-fluorophenyl)acetyl]-5-[2-(4-methylsulfonylanilino)pyrimidin-4-yl]-2,3-dihydroindole-7-carbonitrile
CID 130204642
5-[2-(3-cyanoanilino)pyrimidin-4-yl]-1-[2-(2-fluorophenyl)acetyl]-2,3-dihydroindole-7-carbonitrile
CID 130204078

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine?
The IUPAC name of (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine (CID 130204740) is (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine.
What is the SMILES notation for (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine?
The canonical SMILES for (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine is C/C(=N\C(N)=N\c1ccnc(C#N)c1)c1cc(C#N)c2c(c1)CCN2C(=O)Cc1ccccc1Cl.
What is the InChIKey of (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine?
The InChIKey is ISBXGOQMESQVLQ-KPGMTVGESA-N. The full InChI is InChI=1S/C26H20ClN7O/c1-16(32-26(30)33-21-6-8-31-22(13-21)15-29)19-10-18-7-9-34(25(18)20(11-19)14-28)24(35)12-17-4-2-3-5-23(17)27/h2-6,8,10-11,13H,7,9,12H2,1H3,(H2,30,31,33)/b32-16+.
What are the key properties of (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine?
(1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine has a molecular weight of 481.95 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[1-[1-[2-(2-chlorophenyl)acetyl]-7-cyano-2,3-dihydroindol-5-yl]ethylidene]-2-(2-cyano-4-pyridinyl)guanidine is sourced from PubChem (CID 130204740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).