4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine

C17H18BrFN6 — CID 135294135

IUPAC4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN1CCC(Nc2ncc(F)c(-c3cnc4ccc(Br)cn34)n2)CC1
InChIInChI=1S/C17H18BrFN6/c1-24-6-4-12(5-7-24)22-17-21-8-13(19)16(23-17)14-9-20-15-3-2-11(18)10-25(14)15/h2-3,8-10,12H,4-7H2,1H3,(H,21,22,23)
InChIKeyVHQIDPSHIGEKHY-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.20
Rot. Bonds3

About 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine

4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 135294135) has the molecular formula C17H18BrFN6 and a molecular weight of 405.28 g/mol. Its IUPAC name is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID135294135
Molecular FormulaC17H18BrFN6
Molecular Weight405.28 g/mol
Exact Mass404.08
IUPAC Name4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCN1CCC(Nc2ncc(F)c(-c3cnc4ccc(Br)cn34)n2)CC1
InChIInChI=1S/C17H18BrFN6/c1-24-6-4-12(5-7-24)22-17-21-8-13(19)16(23-17)14-9-20-15-3-2-11(18)10-25(14)15/h2-3,8-10,12H,4-7H2,1H3,(H,21,22,23)
InChIKeyVHQIDPSHIGEKHY-UHFFFAOYSA-N
XLogP3.20
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine (CID 135294135) is 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine is CN1CCC(Nc2ncc(F)c(-c3cnc4ccc(Br)cn34)n2)CC1.
What is the InChIKey of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is VHQIDPSHIGEKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN6/c1-24-6-4-12(5-7-24)22-17-21-8-13(19)16(23-17)14-9-20-15-3-2-11(18)10-25(14)15/h2-3,8-10,12H,4-7H2,1H3,(H,21,22,23).
What are the key properties of 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine?
4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 405.28 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoimidazo[1,2-a]pyridin-3-yl)-5-fluoro-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 135294135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).