6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

C20H25BrN4 — CID 3925373

IUPAC6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2ccccn2)nc2ccc(Br)cn12
InChIInChI=1S/C20H25BrN4/c1-19(2,3)13-20(4,5)24-18-17(15-8-6-7-11-22-15)23-16-10-9-14(21)12-25(16)18/h6-12,24H,13H2,1-5H3
InChIKeyRONFABYJEAFKMM-UHFFFAOYSA-N
MW401.35 g/mol
LogP5.79
Rot. Bonds4

About 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine

6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 3925373) has the molecular formula C20H25BrN4 and a molecular weight of 401.35 g/mol. Its IUPAC name is 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID3925373
Molecular FormulaC20H25BrN4
Molecular Weight401.35 g/mol
Exact Mass400.13
IUPAC Name6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(-c2ccccn2)nc2ccc(Br)cn12
InChIInChI=1S/C20H25BrN4/c1-19(2,3)13-20(4,5)24-18-17(15-8-6-7-11-22-15)23-16-10-9-14(21)12-25(16)18/h6-12,24H,13H2,1-5H3
InChIKeyRONFABYJEAFKMM-UHFFFAOYSA-N
XLogP5.79
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.35
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_Db(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 3925373) is 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is CC(C)(C)CC(C)(C)Nc1c(-c2ccccn2)nc2ccc(Br)cn12.
What is the InChIKey of 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is RONFABYJEAFKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4/c1-19(2,3)13-20(4,5)24-18-17(15-8-6-7-11-22-15)23-16-10-9-14(21)12-25(16)18/h6-12,24H,13H2,1-5H3.
What are the key properties of 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 401.35 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-pyridin-2-yl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3925373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).