1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone

C23H20N4O — CID 167515237

IUPAC1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESC#Cc1cccc(Nc2cc(Nc3cccc4c3N(C(C)=O)CC4)ccn2)c1
InChIInChI=1S/C23H20N4O/c1-3-17-6-4-8-19(14-17)26-22-15-20(10-12-24-22)25-21-9-5-7-18-11-13-27(16(2)28)23(18)21/h1,4-10,12,14-15H,11,13H2,2H3,(H2,24,25,26)
InChIKeyVAYBUTWAUDARHF-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.46
Rot. Bonds4

About 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone

1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 167515237) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID167515237
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESC#Cc1cccc(Nc2cc(Nc3cccc4c3N(C(C)=O)CC4)ccn2)c1
InChIInChI=1S/C23H20N4O/c1-3-17-6-4-8-19(14-17)26-22-15-20(10-12-24-22)25-21-9-5-7-18-11-13-27(16(2)28)23(18)21/h1,4-10,12,14-15H,11,13H2,2H3,(H2,24,25,26)
InChIKeyVAYBUTWAUDARHF-UHFFFAOYSA-N
XLogP4.46
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone (CID 167515237) is 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone is C#Cc1cccc(Nc2cc(Nc3cccc4c3N(C(C)=O)CC4)ccn2)c1.
What is the InChIKey of 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is VAYBUTWAUDARHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-3-17-6-4-8-19(14-17)26-22-15-20(10-12-24-22)25-21-9-5-7-18-11-13-27(16(2)28)23(18)21/h1,4-10,12,14-15H,11,13H2,2H3,(H2,24,25,26).
What are the key properties of 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone?
1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 368.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[[2-(3-ethynylanilino)-4-pyridinyl]amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 167515237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).