2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine

C19H17N3S — CID 69193220

IUPAC2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine
SMILESNC(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)c1cccs1
InChIInChI=1S/C19H17N3S/c20-17(18-2-1-11-23-18)12-13-3-5-14(6-4-13)15-7-9-21-19-16(15)8-10-22-19/h1-11,17H,12,20H2,(H,21,22)
InChIKeyXMYLBPPMWYJWLM-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.53
Rot. Bonds4

About 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine

2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine (PubChem CID 69193220) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine
PubChem CID69193220
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine
SMILESNC(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)c1cccs1
InChIInChI=1S/C19H17N3S/c20-17(18-2-1-11-23-18)12-13-3-5-14(6-4-13)15-7-9-21-19-16(15)8-10-22-19/h1-11,17H,12,20H2,(H,21,22)
InChIKeyXMYLBPPMWYJWLM-UHFFFAOYSA-N
XLogP4.53
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine 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

6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
N-(2-Aminoethyl)-5-{2-Methyl-1h-Pyrrolo[2,3-B]pyridin-4-Yl}thiophene-2-Sulfonamide
CID 25118862
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
N-(2-Aminoethyl)-5-{1h-Pyrrolo[2,3-B]pyridin-3-Yl}thiophene-2-Sulfonamide
CID 71581422
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629551
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629640
4-(Benzylsulfanyl)-7h-pyrrolo[2,3-d]pyrimidine
CID 265826
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
(3R)-1,1-Dibutyl-3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c] pyridine
CID 9803491
(3-Methyl-1H-indol-5-yl)-(6-phenyl-thieno[3,2-d]pyrimidin-4-yl)-amine
CID 18382736
[6-(4-Aminomethyl-phenyl)-thieno[3,2-d]pyrimidin-4-yl]-(1H-indol-5-yl)-amine
CID 18382775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine?
The IUPAC name of 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine (CID 69193220) is 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine is NC(Cc1ccc(-c2ccnc3[nH]ccc23)cc1)c1cccs1.
What is the InChIKey of 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine?
The InChIKey is XMYLBPPMWYJWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c20-17(18-2-1-11-23-18)12-13-3-5-14(6-4-13)15-7-9-21-19-16(15)8-10-22-19/h1-11,17H,12,20H2,(H,21,22).
What are the key properties of 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine?
2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine has a molecular weight of 319.43 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 69193220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).