N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C18H10BrClF3N5 — CID 90178022

IUPACN-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1nc2ccc(Cl)cn2c1-c1nccc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C18H10BrClF3N5/c19-10-1-4-12(5-2-10)25-13-7-8-24-17(26-13)15-16(18(21,22)23)27-14-6-3-11(20)9-28(14)15/h1-9H,(H,24,25,26)
InChIKeyQYAPNGLJIWHOAU-UHFFFAOYSA-N
MW468.66 g/mol
LogP5.97
Rot. Bonds3

About N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 90178022) has the molecular formula C18H10BrClF3N5 and a molecular weight of 468.66 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID90178022
Molecular FormulaC18H10BrClF3N5
Molecular Weight468.66 g/mol
Exact Mass466.98
IUPAC NameN-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESFC(F)(F)c1nc2ccc(Cl)cn2c1-c1nccc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C18H10BrClF3N5/c19-10-1-4-12(5-2-10)25-13-7-8-24-17(26-13)15-16(18(21,22)23)27-14-6-3-11(20)9-28(14)15/h1-9H,(H,24,25,26)
InChIKeyQYAPNGLJIWHOAU-UHFFFAOYSA-N
XLogP5.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.66
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 90178022) is N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is FC(F)(F)c1nc2ccc(Cl)cn2c1-c1nccc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is QYAPNGLJIWHOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClF3N5/c19-10-1-4-12(5-2-10)25-13-7-8-24-17(26-13)15-16(18(21,22)23)27-14-6-3-11(20)9-28(14)15/h1-9H,(H,24,25,26).
What are the key properties of N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 468.66 g/mol, XLogP of 5.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[6-chloro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 90178022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).