3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid

C19H16F3N3O4 — CID 123361638

IUPAC3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(OCc2c(C(F)(F)F)nn3ccccc23)cc1
InChIInChI=1S/C19H16F3N3O4/c20-19(21,22)17-14(15-3-1-2-10-25(15)24-17)11-29-13-6-4-12(5-7-13)18(28)23-9-8-16(26)27/h1-7,10H,8-9,11H2,(H,23,28)(H,26,27)
InChIKeyYHJQVMCILMKLDB-UHFFFAOYSA-N
MW407.35 g/mol
LogP3.14
Rot. Bonds7

About 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid

3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid (PubChem CID 123361638) has the molecular formula C19H16F3N3O4 and a molecular weight of 407.35 g/mol. Its IUPAC name is 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid
PubChem CID123361638
Molecular FormulaC19H16F3N3O4
Molecular Weight407.35 g/mol
Exact Mass407.11
IUPAC Name3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc(OCc2c(C(F)(F)F)nn3ccccc23)cc1
InChIInChI=1S/C19H16F3N3O4/c20-19(21,22)17-14(15-3-1-2-10-25(15)24-17)11-29-13-6-4-12(5-7-13)18(28)23-9-8-16(26)27/h1-7,10H,8-9,11H2,(H,23,28)(H,26,27)
InChIKeyYHJQVMCILMKLDB-UHFFFAOYSA-N
XLogP3.14
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid with MolForge

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Related Compounds

5-Methoxy-2-methyl-N-(4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188597
(+/-)-3-(4-(1-(4-(4,5,6,7-tetrahydro-2H-indazol-2-yl)phenoxy)butyl)benzamido)propanoic acid
CID 68178614
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazolo[1,5-a]pyridinecarboxamide
CID 9550757
N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 11857040
N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46865791
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-(4-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884919
1-(3-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884949
N-(2-{[(4-Ethoxyphenyl)carbonyl]amino}ethyl)-1-(2-hydroxyphenyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46885000
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
3-[[4-[1-[4-[4-(Trifluoromethyl)pyrazol-1-yl]phenoxy]butyl]benzoyl]amino]propanoic acid
CID 60151375
3-[[4-[Cyclobutyl-[4-[4-(trifluoromethyl)pyrazol-1-yl]phenoxy]methyl]benzoyl]amino]propanoic acid
CID 60151654

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid (CID 123361638) is 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid is O=C(O)CCNC(=O)c1ccc(OCc2c(C(F)(F)F)nn3ccccc23)cc1.
What is the InChIKey of 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid?
The InChIKey is YHJQVMCILMKLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4/c20-19(21,22)17-14(15-3-1-2-10-25(15)24-17)11-29-13-6-4-12(5-7-13)18(28)23-9-8-16(26)27/h1-7,10H,8-9,11H2,(H,23,28)(H,26,27).
What are the key properties of 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid?
3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid has a molecular weight of 407.35 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methoxy]benzoyl]amino]propanoic acid is sourced from PubChem (CID 123361638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).