3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid

C23H24F3N5O3 — CID 71614312

IUPAC3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid
SMILESCCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C23H24F3N5O3/c1-2-3-19(15-4-6-16(7-5-15)22(34)27-11-10-21(32)33)30-20-9-8-18(13-28-20)31-14-17(12-29-31)23(24,25)26/h4-9,12-14,19H,2-3,10-11H2,1H3,(H,27,34)(H,28,30)(H,32,33)
InChIKeyDQYXONNTTYTPPD-UHFFFAOYSA-N
MW475.47 g/mol
LogP4.44
Rot. Bonds10

About 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid

3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid (PubChem CID 71614312) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid
PubChem CID71614312
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid
SMILESCCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1
InChIInChI=1S/C23H24F3N5O3/c1-2-3-19(15-4-6-16(7-5-15)22(34)27-11-10-21(32)33)30-20-9-8-18(13-28-20)31-14-17(12-29-31)23(24,25)26/h4-9,12-14,19H,2-3,10-11H2,1H3,(H,27,34)(H,28,30)(H,32,33)
InChIKeyDQYXONNTTYTPPD-UHFFFAOYSA-N
XLogP4.44
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

PF-06372222
CID 68178630
N-[(1S,2S)-2-Methyl-2-{[5-(trifluoromethyl)pyrazin-2-yl]amino}cyclopentyl]-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 118308114
N-[2-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129691
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 162639718
3-[[4-[Cyclopentyl-[[2-[4-(trifluoromethyl)imidazol-1-yl]pyrimidin-5-yl]amino]methyl]benzoyl]amino]propanoic acid
CID 60152347
Biphenyl-4-carboxylic acid [6-(3-methylamino-pyrrolidin-1-yl)-pyridin-3-yl]-amide
CID 11610423
N-(6-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyridin-3-yl)benzamide
CID 17748379
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-{1-[Amino(oxo)acetyl]pentyl}-2-(4-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157359
N-(5-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)pyrazin-2-yl)benzamide
CID 52946747
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridyl]amino]-4-fluoro-N-methyl-benzamide
CID 56951292

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid (CID 71614312) is 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid is CCCC(Nc1ccc(-n2cc(C(F)(F)F)cn2)cn1)c1ccc(C(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid?
The InChIKey is DQYXONNTTYTPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-2-3-19(15-4-6-16(7-5-15)22(34)27-11-10-21(32)33)30-20-9-8-18(13-28-20)31-14-17(12-29-31)23(24,25)26/h4-9,12-14,19H,2-3,10-11H2,1H3,(H,27,34)(H,28,30)(H,32,33).
What are the key properties of 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid?
3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid has a molecular weight of 475.47 g/mol, XLogP of 4.44, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-[[5-[4-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]amino]butyl]benzoyl]amino]propanoic acid is sourced from PubChem (CID 71614312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).