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

C27H28BrFN6 — CID 10302207

IUPAC6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
SMILESFc1ccc(-c2nc3c(NC4CCCC4)cc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C27H28BrFN6/c28-18-15-23(31-20-5-1-2-6-20)26-34-24(17-9-11-19(29)12-10-17)25(35(26)16-18)22-13-14-30-27(33-22)32-21-7-3-4-8-21/h9-16,20-21,31H,1-8H2,(H,30,32,33)
InChIKeyHYXROYJLXWGOOT-UHFFFAOYSA-N
MW535.47 g/mol
LogP7.07
Rot. Bonds6

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

6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine (PubChem CID 10302207) has the molecular formula C27H28BrFN6 and a molecular weight of 535.47 g/mol. Its IUPAC name is 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
PubChem CID10302207
Molecular FormulaC27H28BrFN6
Molecular Weight535.47 g/mol
Exact Mass534.15
IUPAC Name6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine
SMILESFc1ccc(-c2nc3c(NC4CCCC4)cc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C27H28BrFN6/c28-18-15-23(31-20-5-1-2-6-20)26-34-24(17-9-11-19(29)12-10-17)25(35(26)16-18)22-13-14-30-27(33-22)32-21-7-3-4-8-21/h9-16,20-21,31H,1-8H2,(H,30,32,33)
InChIKeyHYXROYJLXWGOOT-UHFFFAOYSA-N
XLogP7.07
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.47
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine (CID 10302207) is 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine is Fc1ccc(-c2nc3c(NC4CCCC4)cc(Br)cn3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
The InChIKey is HYXROYJLXWGOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28BrFN6/c28-18-15-23(31-20-5-1-2-6-20)26-34-24(17-9-11-19(29)12-10-17)25(35(26)16-18)22-13-14-30-27(33-22)32-21-7-3-4-8-21/h9-16,20-21,31H,1-8H2,(H,30,32,33).
What are the key properties of 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine?
6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine has a molecular weight of 535.47 g/mol, XLogP of 7.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 10302207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).