2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid

C23H22F3N3O3 — CID 118715121

IUPAC2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)cn2ccnc12)C(=O)C1CC1
InChIInChI=1S/C23H22F3N3O3/c1-2-28(22(32)15-3-4-15)13-16-11-17(23(24,25)26)5-6-18(16)19-9-14(10-20(30)31)12-29-8-7-27-21(19)29/h5-9,11-12,15H,2-4,10,13H2,1H3,(H,30,31)
InChIKeyRCTZKBLBFRDXNO-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.41
Rot. Bonds7

About 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid

2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid (PubChem CID 118715121) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid
PubChem CID118715121
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)cn2ccnc12)C(=O)C1CC1
InChIInChI=1S/C23H22F3N3O3/c1-2-28(22(32)15-3-4-15)13-16-11-17(23(24,25)26)5-6-18(16)19-9-14(10-20(30)31)12-29-8-7-27-21(19)29/h5-9,11-12,15H,2-4,10,13H2,1H3,(H,30,31)
InChIKeyRCTZKBLBFRDXNO-UHFFFAOYSA-N
XLogP4.41
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid?
The IUPAC name of 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid (CID 118715121) is 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid.
What is the SMILES notation for 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid?
The canonical SMILES for 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid is CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)cn2ccnc12)C(=O)C1CC1.
What is the InChIKey of 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid?
The InChIKey is RCTZKBLBFRDXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-2-28(22(32)15-3-4-15)13-16-11-17(23(24,25)26)5-6-18(16)19-9-14(10-20(30)31)12-29-8-7-27-21(19)29/h5-9,11-12,15H,2-4,10,13H2,1H3,(H,30,31).
What are the key properties of 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid?
2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid has a molecular weight of 445.44 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]acetic acid is sourced from PubChem (CID 118715121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).