1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

C21H23F3N4O2 — CID 91629592

IUPAC1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1
InChIInChI=1S/C21H23F3N4O2/c22-21(23,24)16-6-4-15(5-7-16)13-19(29)26-9-11-27(12-10-26)20(30)17-14-25-28-8-2-1-3-18(17)28/h4-7,14H,1-3,8-13H2
InChIKeyLATZKSGHEPJBKP-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.77
Rot. Bonds3

About 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 91629592) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID91629592
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1
InChIInChI=1S/C21H23F3N4O2/c22-21(23,24)16-6-4-15(5-7-16)13-19(29)26-9-11-27(12-10-26)20(30)17-14-25-28-8-2-1-3-18(17)28/h4-7,14H,1-3,8-13H2
InChIKeyLATZKSGHEPJBKP-UHFFFAOYSA-N
XLogP2.77
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone 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

2-(2-chlorophenyl)-1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 86267039
[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 136545627
(3-chlorophenyl)-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 86267031
1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbonyl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91629507
[4-(1-benzylpyrrolidin-3-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 136542265
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[3-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 71789515
1-(3-aminopiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 62048675
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 78905080
[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 56887001
1-[4-(sulfinatoamino)benzoyl]-4-[2-[4-(trifluoromethyl)phenyl]acetyl]-1,4-diazepane
CID 129042748
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 95613238
(3R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 124699963

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 91629592) is 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(C(F)(F)F)cc1)N1CCN(C(=O)c2cnn3c2CCCC3)CC1.
What is the InChIKey of 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is LATZKSGHEPJBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c22-21(23,24)16-6-4-15(5-7-16)13-19(29)26-9-11-27(12-10-26)20(30)17-14-25-28-8-2-1-3-18(17)28/h4-7,14H,1-3,8-13H2.
What are the key properties of 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 420.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 91629592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).