2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine

C16H17N5 — CID 54323492

IUPAC2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(N3CNc4ncccc43)cc12
InChIInChI=1S/C16H17N5/c17-6-5-11-9-19-14-4-3-12(8-13(11)14)21-10-20-16-15(21)2-1-7-18-16/h1-4,7-9,19H,5-6,10,17H2,(H,18,20)
InChIKeySTHANXGMBJYOCX-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.59
Rot. Bonds3

About 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine

2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine (PubChem CID 54323492) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine
PubChem CID54323492
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(N3CNc4ncccc43)cc12
InChIInChI=1S/C16H17N5/c17-6-5-11-9-19-14-4-3-12(8-13(11)14)21-10-20-16-15(21)2-1-7-18-16/h1-4,7-9,19H,5-6,10,17H2,(H,18,20)
InChIKeySTHANXGMBJYOCX-UHFFFAOYSA-N
XLogP2.59
TPSA69.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine (CID 54323492) is 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(N3CNc4ncccc43)cc12.
What is the InChIKey of 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is STHANXGMBJYOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c17-6-5-11-9-19-14-4-3-12(8-13(11)14)21-10-20-16-15(21)2-1-7-18-16/h1-4,7-9,19H,5-6,10,17H2,(H,18,20).
What are the key properties of 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine?
2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dihydroimidazo[4,5-b]pyridin-1-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 54323492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).