2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

C31H30F3N3O5 — CID 71695737

IUPAC2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCOc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)ccc2n1
InChIInChI=1S/C31H30F3N3O5/c1-41-27-12-11-25(42-31(32,33)34)15-24(27)16-35-30(40)26-18-37-17-23(10-13-28(37)36-26)22-8-6-21(7-9-22)20-4-2-19(3-5-20)14-29(38)39/h6-13,15,17-20H,2-5,14,16H2,1H3,(H,35,40)(H,38,39)
InChIKeyHFKPZEGAJGZZKX-UHFFFAOYSA-N
MW581.59 g/mol
LogP6.59
Rot. Bonds9

About 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 71695737) has the molecular formula C31H30F3N3O5 and a molecular weight of 581.59 g/mol. Its IUPAC name is 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
PubChem CID71695737
Molecular FormulaC31H30F3N3O5
Molecular Weight581.59 g/mol
Exact Mass581.21
IUPAC Name2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
SMILESCOc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)ccc2n1
InChIInChI=1S/C31H30F3N3O5/c1-41-27-12-11-25(42-31(32,33)34)15-24(27)16-35-30(40)26-18-37-17-23(10-13-28(37)36-26)22-8-6-21(7-9-22)20-4-2-19(3-5-20)14-29(38)39/h6-13,15,17-20H,2-5,14,16H2,1H3,(H,35,40)(H,38,39)
InChIKeyHFKPZEGAJGZZKX-UHFFFAOYSA-N
XLogP6.59
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.59
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid with MolForge

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Related Compounds

Dgat1-IN-1
CID 71696573
US10087188, Example 172
CID 121455794
2-ethyl-N-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67401503
2-[4-[4-[2-(1,3-Benzodioxol-5-ylmethylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
CID 71695671
US10087188, Example 135
CID 121455520
US10087188, Example 108
CID 121455546
US10087188, Example 66
CID 121455590
US10087188, Example 122
CID 121455732
US10087188, Example 75
CID 121455788
US10087188, Example 171
CID 121455893
US10214546, Example 210
CID 121456527
US10214546, Example 144
CID 121456554

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid (CID 71695737) is 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is COc1ccc(OC(F)(F)F)cc1CNC(=O)c1cn2cc(-c3ccc(C4CCC(CC(=O)O)CC4)cc3)ccc2n1.
What is the InChIKey of 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is HFKPZEGAJGZZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30F3N3O5/c1-41-27-12-11-25(42-31(32,33)34)15-24(27)16-35-30(40)26-18-37-17-23(10-13-28(37)36-26)22-8-6-21(7-9-22)20-4-2-19(3-5-20)14-29(38)39/h6-13,15,17-20H,2-5,14,16H2,1H3,(H,35,40)(H,38,39).
What are the key properties of 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 581.59 g/mol, XLogP of 6.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[[2-methoxy-5-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 71695737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).