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

C22H19BrFN5 — CID 15954589

IUPAC4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESFc1ccc(-c2nc3ccc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C22H19BrFN5/c23-15-7-10-19-28-20(14-5-8-16(24)9-6-14)21(29(19)13-15)18-11-12-25-22(27-18)26-17-3-1-2-4-17/h5-13,17H,1-4H2,(H,25,26,27)
InChIKeyQDFWKBAGOVAQKX-UHFFFAOYSA-N
MW452.33 g/mol
LogP5.71
Rot. Bonds4

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

4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (PubChem CID 15954589) has the molecular formula C22H19BrFN5 and a molecular weight of 452.33 g/mol. Its IUPAC name is 4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
PubChem CID15954589
Molecular FormulaC22H19BrFN5
Molecular Weight452.33 g/mol
Exact Mass451.08
IUPAC Name4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
SMILESFc1ccc(-c2nc3ccc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C22H19BrFN5/c23-15-7-10-19-28-20(14-5-8-16(24)9-6-14)21(29(19)13-15)18-11-12-25-22(27-18)26-17-3-1-2-4-17/h5-13,17H,1-4H2,(H,25,26,27)
InChIKeyQDFWKBAGOVAQKX-UHFFFAOYSA-N
XLogP5.71
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.33
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The IUPAC name of 4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine (CID 15954589) is 4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine.
What is the SMILES notation for 4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The canonical SMILES for 4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is Fc1ccc(-c2nc3ccc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
The InChIKey is QDFWKBAGOVAQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrFN5/c23-15-7-10-19-28-20(14-5-8-16(24)9-6-14)21(29(19)13-15)18-11-12-25-22(27-18)26-17-3-1-2-4-17/h5-13,17H,1-4H2,(H,25,26,27).
What are the key properties of 4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine?
4-[6-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine has a molecular weight of 452.33 g/mol, XLogP of 5.71, 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)imidazo[1,2-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine is sourced from PubChem (CID 15954589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).