2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid

C23H22F3N3O3 — CID 118715122

IUPAC2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)cn2nccc12)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(10-21(30)31)12-29-20(19)7-8-27-29/h5-9,11-12,15H,2-4,10,13H2,1H3,(H,30,31)
InChIKeyLXACOOBAWOKSPD-UHFFFAOYSA-N
MW445.44 g/mol
LogP4.41
Rot. Bonds7

About 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid

2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid (PubChem CID 118715122) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid
PubChem CID118715122
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid
SMILESCCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)cn2nccc12)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(10-21(30)31)12-29-20(19)7-8-27-29/h5-9,11-12,15H,2-4,10,13H2,1H3,(H,30,31)
InChIKeyLXACOOBAWOKSPD-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

Analyze 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid with MolForge

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Related Compounds

cis-3-[2-(2-Carboxymethylcyclohexyl)-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine
CID 15522352
2-[(1S,2R)-2-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]cyclohexyl]acetic acid
CID 15522353
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrrolo[1,2-c]pyrimidin-5-yl]acetic acid
CID 71222500
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylpyrrolo[1,2-b]pyridazin-5-yl]acetic acid
CID 71226099
2-[1-[Bis(4-fluorophenyl)methyl]-5-methyl-3-pyridin-4-ylpyrazol-4-yl]acetic acid
CID 71624967
2-[1-[Bis(4-fluorophenyl)methyl]-3-pyridin-4-ylpyrazol-4-yl]acetic acid
CID 71624969
2-[1-[Bis(4-fluorophenyl)methyl]-3-(3-fluoro-4-pyridinyl)-5-methylpyrazol-4-yl]acetic acid
CID 73348867
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-1-methylindazol-5-yl]acetic acid
CID 118715118
2-[7-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-2-methylindazol-5-yl]acetic acid
CID 118715119
2-[6-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]acetic acid
CID 118715123
2-[6-[2-[[Cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]indolizin-8-yl]acetic acid
CID 118715124
trans-(1S,2S)-2-[4-[3-methyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylic acid
CID 137656733

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid?
The IUPAC name of 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid (CID 118715122) is 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid is CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)O)cn2nccc12)C(=O)C1CC1.
What is the InChIKey of 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid?
The InChIKey is LXACOOBAWOKSPD-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(10-21(30)31)12-29-20(19)7-8-27-29/h5-9,11-12,15H,2-4,10,13H2,1H3,(H,30,31).
What are the key properties of 2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid?
2-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-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-[4-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridin-6-yl]acetic acid is sourced from PubChem (CID 118715122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).