4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

C23H21BrFN5 — CID 10205198

IUPAC4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCc1cc(Br)cn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H21BrFN5/c1-14-12-16(24)13-30-21(20(29-22(14)30)15-6-8-17(25)9-7-15)19-10-11-26-23(28-19)27-18-4-2-3-5-18/h6-13,18H,2-5H2,1H3,(H,26,27,28)
InChIKeyKLWNBJWBJACQJR-UHFFFAOYSA-N
MW466.36 g/mol
LogP6.02
Rot. Bonds4

About 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine

4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 10205198) has the molecular formula C23H21BrFN5 and a molecular weight of 466.36 g/mol. Its IUPAC name is 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID10205198
Molecular FormulaC23H21BrFN5
Molecular Weight466.36 g/mol
Exact Mass465.10
IUPAC Name4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESCc1cc(Br)cn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12
InChIInChI=1S/C23H21BrFN5/c1-14-12-16(24)13-30-21(20(29-22(14)30)15-6-8-17(25)9-7-15)19-10-11-26-23(28-19)27-18-4-2-3-5-18/h6-13,18H,2-5H2,1H3,(H,26,27,28)
InChIKeyKLWNBJWBJACQJR-UHFFFAOYSA-N
XLogP6.02
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.36
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-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-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (CID 10205198) is 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is Cc1cc(Br)cn2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is KLWNBJWBJACQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFN5/c1-14-12-16(24)13-30-21(20(29-22(14)30)15-6-8-17(25)9-7-15)19-10-11-26-23(28-19)27-18-4-2-3-5-18/h6-13,18H,2-5H2,1H3,(H,26,27,28).
What are the key properties of 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine has a molecular weight of 466.36 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 10205198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).