2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

C28H24F3N3O3 — CID 71695988

IUPAC2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)Nc5cc(F)c(F)c(F)c5)cn4c3)cc2)CC1
InChIInChI=1S/C28H24F3N3O3/c29-22-12-21(13-23(30)27(22)31)32-28(37)24-15-34-14-20(9-10-25(34)33-24)19-7-5-18(6-8-19)17-3-1-16(2-4-17)11-26(35)36/h5-10,12-17H,1-4,11H2,(H,32,37)(H,35,36)
InChIKeyPPERHPKBXUFEOR-UHFFFAOYSA-N
MW507.51 g/mol
LogP6.42
Rot. Bonds6

About 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 71695988) has the molecular formula C28H24F3N3O3 and a molecular weight of 507.51 g/mol. Its IUPAC name is 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID71695988
Molecular FormulaC28H24F3N3O3
Molecular Weight507.51 g/mol
Exact Mass507.18
IUPAC Name2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)Nc5cc(F)c(F)c(F)c5)cn4c3)cc2)CC1
InChIInChI=1S/C28H24F3N3O3/c29-22-12-21(13-23(30)27(22)31)32-28(37)24-15-34-14-20(9-10-25(34)33-24)19-7-5-18(6-8-19)17-3-1-16(2-4-17)11-26(35)36/h5-10,12-17H,1-4,11H2,(H,32,37)(H,35,36)
InChIKeyPPERHPKBXUFEOR-UHFFFAOYSA-N
XLogP6.42
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (CID 71695988) is 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3ccc4nc(C(=O)Nc5cc(F)c(F)c(F)c5)cn4c3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is PPERHPKBXUFEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O3/c29-22-12-21(13-23(30)27(22)31)32-28(37)24-15-34-14-20(9-10-25(34)33-24)19-7-5-18(6-8-19)17-3-1-16(2-4-17)11-26(35)36/h5-10,12-17H,1-4,11H2,(H,32,37)(H,35,36).
What are the key properties of 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 507.51 g/mol, XLogP of 6.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[(3,4,5-trifluorophenyl)carbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 71695988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).