4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid

C33H26F3N3O3 — CID 176771525

IUPAC4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid
SMILESCC(NC(=O)c1cc(-c2ccccc2)cn2ncc(C3(c4ccc(C(F)(F)F)cc4)CC3)c12)c1ccc(C(=O)O)cc1
InChIInChI=1S/C33H26F3N3O3/c1-20(21-7-9-23(10-8-21)31(41)42)38-30(40)27-17-24(22-5-3-2-4-6-22)19-39-29(27)28(18-37-39)32(15-16-32)25-11-13-26(14-12-25)33(34,35)36/h2-14,17-20H,15-16H2,1H3,(H,38,40)(H,41,42)
InChIKeyQQQNVVZGXMQCLF-UHFFFAOYSA-N
MW569.58 g/mol
LogP7.29
Rot. Bonds7

About 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid

4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid (PubChem CID 176771525) has the molecular formula C33H26F3N3O3 and a molecular weight of 569.58 g/mol. Its IUPAC name is 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid
PubChem CID176771525
Molecular FormulaC33H26F3N3O3
Molecular Weight569.58 g/mol
Exact Mass569.19
IUPAC Name4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid
SMILESCC(NC(=O)c1cc(-c2ccccc2)cn2ncc(C3(c4ccc(C(F)(F)F)cc4)CC3)c12)c1ccc(C(=O)O)cc1
InChIInChI=1S/C33H26F3N3O3/c1-20(21-7-9-23(10-8-21)31(41)42)38-30(40)27-17-24(22-5-3-2-4-6-22)19-39-29(27)28(18-37-39)32(15-16-32)25-11-13-26(14-12-25)33(34,35)36/h2-14,17-20H,15-16H2,1H3,(H,38,40)(H,41,42)
InChIKeyQQQNVVZGXMQCLF-UHFFFAOYSA-N
XLogP7.29
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.58
LogP ≤ 57.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1S)-1-[[6-(1,2-oxazol-3-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid
CID 176772301
4-[(1S)-1-[[1-(naphthalen-2-ylmethyl)-5-[4-(trifluoromethyl)phenyl]indazole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772577
4-[(1S)-1-[[6-(4-fluorophenyl)-3-(naphthalen-2-ylmethyl)pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid
CID 176772855
4-[(1S)-1-[[6-(3,5-difluorophenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]benzotriazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175932797
4-[(1S)-1-[[5-chloro-2-[3-(3-fluorophenoxy)azetidin-1-yl]pyridine-3-carbonyl]amino]ethyl]benzoic acid;4-[1-[[5-chloro-2-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]pyridine-3-carbonyl]amino]cyclopropyl]benzoic acid
CID 161144812
sodium;methanol;methyl 4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoate;4-[(1S)-1-[[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]ethyl]benzoic acid;hydroxide
CID 167602744
4-[(1S)-1-[[1-[(6-fluoronaphthalen-2-yl)methyl]-5-phenylindazole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772170
4-[(1S)-1-[[5-phenyl-1-[(1S)-1-quinolin-3-ylethyl]indazole-7-carbonyl]amino]ethyl]benzoic acid
CID 176771933
N-(1-phenylethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156235
4-[(1S)-1-[[6-phenyl-3-(quinolin-6-ylmethyl)triazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid
CID 176771537
2-fluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 42955470
4-[(1S)-1-[[5-(1-methylpyrazol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]ethyl]benzoic acid
CID 176772051

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid (CID 176771525) is 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid is CC(NC(=O)c1cc(-c2ccccc2)cn2ncc(C3(c4ccc(C(F)(F)F)cc4)CC3)c12)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid?
The InChIKey is QQQNVVZGXMQCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26F3N3O3/c1-20(21-7-9-23(10-8-21)31(41)42)38-30(40)27-17-24(22-5-3-2-4-6-22)19-39-29(27)28(18-37-39)32(15-16-32)25-11-13-26(14-12-25)33(34,35)36/h2-14,17-20H,15-16H2,1H3,(H,38,40)(H,41,42).
What are the key properties of 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid?
4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid has a molecular weight of 569.58 g/mol, XLogP of 7.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-phenyl-3-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]pyrazolo[1,5-a]pyridine-4-carbonyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 176771525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).