N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

C22H18Br2FN5 — CID 10165406

IUPACN-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3c(Br)cc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C22H18Br2FN5/c23-14-11-17(24)21-29-19(13-5-7-15(25)8-6-13)20(30(21)12-14)18-9-10-26-22(28-18)27-16-3-1-2-4-16/h5-12,16H,1-4H2,(H,26,27,28)
InChIKeyCEYKJBAJFUSKPH-UHFFFAOYSA-N
MW531.23 g/mol
LogP6.48
Rot. Bonds4

About N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine

N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 10165406) has the molecular formula C22H18Br2FN5 and a molecular weight of 531.23 g/mol. Its IUPAC name is N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID10165406
Molecular FormulaC22H18Br2FN5
Molecular Weight531.23 g/mol
Exact Mass528.99
IUPAC NameN-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
SMILESFc1ccc(-c2nc3c(Br)cc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C22H18Br2FN5/c23-14-11-17(24)21-29-19(13-5-7-15(25)8-6-13)20(30(21)12-14)18-9-10-26-22(28-18)27-16-3-1-2-4-16/h5-12,16H,1-4H2,(H,26,27,28)
InChIKeyCEYKJBAJFUSKPH-UHFFFAOYSA-N
XLogP6.48
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.23
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine (CID 10165406) is N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is Fc1ccc(-c2nc3c(Br)cc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is CEYKJBAJFUSKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2FN5/c23-14-11-17(24)21-29-19(13-5-7-15(25)8-6-13)20(30(21)12-14)18-9-10-26-22(28-18)27-16-3-1-2-4-16/h5-12,16H,1-4H2,(H,26,27,28).
What are the key properties of N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 531.23 g/mol, XLogP of 6.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[6,8-dibromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10165406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).