4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline

C24H19N5 — CID 57438927

IUPAC4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(N)cc3)c2)n1
InChIInChI=1S/C24H19N5/c1-16-5-4-6-20(27-16)23-24(29-14-3-2-7-22(29)28-23)18-12-13-26-21(15-18)17-8-10-19(25)11-9-17/h2-15H,25H2,1H3
InChIKeyXICZBKYSRPYSOL-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.02
Rot. Bonds3

About 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline

4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline (PubChem CID 57438927) has the molecular formula C24H19N5 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline.

Molecular Properties

Compound Name4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline
PubChem CID57438927
Molecular FormulaC24H19N5
Molecular Weight377.45 g/mol
Exact Mass377.16
IUPAC Name4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline
SMILESCc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(N)cc3)c2)n1
InChIInChI=1S/C24H19N5/c1-16-5-4-6-20(27-16)23-24(29-14-3-2-7-22(29)28-23)18-12-13-26-21(15-18)17-8-10-19(25)11-9-17/h2-15H,25H2,1H3
InChIKeyXICZBKYSRPYSOL-UHFFFAOYSA-N
XLogP5.02
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline?
The IUPAC name of 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline (CID 57438927) is 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline.
What is the SMILES notation for 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline?
The canonical SMILES for 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline is Cc1cccc(-c2nc3ccccn3c2-c2ccnc(-c3ccc(N)cc3)c2)n1.
What is the InChIKey of 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline?
The InChIKey is XICZBKYSRPYSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5/c1-16-5-4-6-20(27-16)23-24(29-14-3-2-7-22(29)28-23)18-12-13-26-21(15-18)17-8-10-19(25)11-9-17/h2-15H,25H2,1H3.
What are the key properties of 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline?
4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline has a molecular weight of 377.45 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]aniline is sourced from PubChem (CID 57438927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).