2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine

C16H17BrN4 — CID 165132416

IUPAC2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
SMILESCC(C)c1ccc2nc(CNc3ccnc(Br)c3)cn2c1
InChIInChI=1S/C16H17BrN4/c1-11(2)12-3-4-16-20-14(10-21(16)9-12)8-19-13-5-6-18-15(17)7-13/h3-7,9-11H,8H2,1-2H3,(H,18,19)
InChIKeyGFPYWCYXPYWFTP-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.23
Rot. Bonds4

About 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine

2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine (PubChem CID 165132416) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
PubChem CID165132416
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine
SMILESCC(C)c1ccc2nc(CNc3ccnc(Br)c3)cn2c1
InChIInChI=1S/C16H17BrN4/c1-11(2)12-3-4-16-20-14(10-21(16)9-12)8-19-13-5-6-18-15(17)7-13/h3-7,9-11H,8H2,1-2H3,(H,18,19)
InChIKeyGFPYWCYXPYWFTP-UHFFFAOYSA-N
XLogP4.23
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine (CID 165132416) is 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine is CC(C)c1ccc2nc(CNc3ccnc(Br)c3)cn2c1.
What is the InChIKey of 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine?
The InChIKey is GFPYWCYXPYWFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-11(2)12-3-4-16-20-14(10-21(16)9-12)8-19-13-5-6-18-15(17)7-13/h3-7,9-11H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine?
2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine has a molecular weight of 345.24 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(6-propan-2-ylimidazo[1,2-a]pyridin-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 165132416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).