ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione

C19H20N2O2 — CID 144689405

IUPACethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione
SMILESCC.O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cccnc1
InChIInChI=1S/C17H14N2O2.C2H6/c20-16(5-6-17(21)14-2-1-8-18-11-14)13-3-4-15-12(10-13)7-9-19-15;1-2/h1-4,7-11,19H,5-6H2;1-2H3
InChIKeyIMHMDXUPFJGCMI-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.43
Rot. Bonds5

About ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione

ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione (PubChem CID 144689405) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione.

Molecular Properties

Compound Nameethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione
PubChem CID144689405
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione
SMILESCC.O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cccnc1
InChIInChI=1S/C17H14N2O2.C2H6/c20-16(5-6-17(21)14-2-1-8-18-11-14)13-3-4-15-12(10-13)7-9-19-15;1-2/h1-4,7-11,19H,5-6H2;1-2H3
InChIKeyIMHMDXUPFJGCMI-UHFFFAOYSA-N
XLogP4.43
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-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

ethane;1-(1H-indol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione
CID 144689335
1-(1H-indol-5-yl)-4-methylpentan-1-one
CID 10976846
1-(1H-indol-5-yl)-4-[4-(trifluoromethyl)phenyl]butane-1,4-dione
CID 90363615
methyl 1H-indole-5-carboxylate;pyridine
CID 175088239
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
methyl 4-oxo-4-pyridin-3-ylbutanoate
CID 15913004
1-pyridin-3-ylundecan-1-one
CID 19756112
1-pyridin-3-ylpentan-1-one
CID 12648543
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
6-(2-pyridin-3-ylacetyl)-1H-quinolin-2-one
CID 19854669
N-(3-methyl-4-pyridinyl)-1H-indole-5-carboxamide
CID 63719010
N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 128993122

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione?
The IUPAC name of ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione (CID 144689405) is ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione.
What is the SMILES notation for ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione?
The canonical SMILES for ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione is CC.O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cccnc1.
What is the InChIKey of ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione?
The InChIKey is IMHMDXUPFJGCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.C2H6/c20-16(5-6-17(21)14-2-1-8-18-11-14)13-3-4-15-12(10-13)7-9-19-15;1-2/h1-4,7-11,19H,5-6H2;1-2H3.
What are the key properties of ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione?
ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione has a molecular weight of 308.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1H-indol-5-yl)-4-pyridin-3-ylbutane-1,4-dione is sourced from PubChem (CID 144689405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).