1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine

C20H20N4S — CID 24803786

IUPAC1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine
SMILESNCC(NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1
InChIInChI=1S/C20H20N4S/c21-12-18(14-4-2-1-3-5-14)24-13-15-6-7-19(25-15)16-8-10-22-20-17(16)9-11-23-20/h1-11,18,24H,12-13,21H2,(H,22,23)
InChIKeyZSJZLUDDBSGIPE-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.08
Rot. Bonds6

About 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine

1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine (PubChem CID 24803786) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine
PubChem CID24803786
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine
SMILESNCC(NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1
InChIInChI=1S/C20H20N4S/c21-12-18(14-4-2-1-3-5-14)24-13-15-6-7-19(25-15)16-8-10-22-20-17(16)9-11-23-20/h1-11,18,24H,12-13,21H2,(H,22,23)
InChIKeyZSJZLUDDBSGIPE-UHFFFAOYSA-N
XLogP4.08
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine 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-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine (CID 24803786) is 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine is NCC(NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is ZSJZLUDDBSGIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c21-12-18(14-4-2-1-3-5-14)24-13-15-6-7-19(25-15)16-8-10-22-20-17(16)9-11-23-20/h1-11,18,24H,12-13,21H2,(H,22,23).
What are the key properties of 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine?
1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 348.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 24803786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).