4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline

C18H14N4 — CID 68541986

IUPAC4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
SMILESNc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1
InChIInChI=1S/C18H14N4/c19-16-3-1-14(2-4-16)17-12-21-18-11-15(7-10-22(17)18)13-5-8-20-9-6-13/h1-12H,19H2
InChIKeyXXIKOAHBPLVQQV-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.65
Rot. Bonds2

About 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline

4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline (PubChem CID 68541986) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
PubChem CID68541986
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline
SMILESNc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1
InChIInChI=1S/C18H14N4/c19-16-3-1-14(2-4-16)17-12-21-18-11-15(7-10-22(17)18)13-5-8-20-9-6-13/h1-12H,19H2
InChIKeyXXIKOAHBPLVQQV-UHFFFAOYSA-N
XLogP3.65
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline?
The IUPAC name of 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline (CID 68541986) is 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline.
What is the SMILES notation for 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline?
The canonical SMILES for 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline is Nc1ccc(-c2cnc3cc(-c4ccncc4)ccn23)cc1.
What is the InChIKey of 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline?
The InChIKey is XXIKOAHBPLVQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c19-16-3-1-14(2-4-16)17-12-21-18-11-15(7-10-22(17)18)13-5-8-20-9-6-13/h1-12H,19H2.
What are the key properties of 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline?
4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)aniline is sourced from PubChem (CID 68541986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).