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

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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).