(4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone

C25H26F3N5O — CID 58267470

IUPAC(4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone
SMILESO=C(c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H26F3N5O/c26-25(27,28)23-20-9-3-4-10-21(20)33(30-23)17-18-7-1-2-8-19(18)24(34)32-15-13-31(14-16-32)22-11-5-6-12-29-22/h1-2,5-8,11-12H,3-4,9-10,13-17H2
InChIKeyDJWSJSSCBQPCBB-UHFFFAOYSA-N
MW469.51 g/mol
LogP4.19
Rot. Bonds4

About (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone

(4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone (PubChem CID 58267470) has the molecular formula C25H26F3N5O and a molecular weight of 469.51 g/mol. Its IUPAC name is (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone.

Molecular Properties

Compound Name(4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone
PubChem CID58267470
Molecular FormulaC25H26F3N5O
Molecular Weight469.51 g/mol
Exact Mass469.21
IUPAC Name(4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone
SMILESO=C(c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C25H26F3N5O/c26-25(27,28)23-20-9-3-4-10-21(20)33(30-23)17-18-7-1-2-8-19(18)24(34)32-15-13-31(14-16-32)22-11-5-6-12-29-22/h1-2,5-8,11-12H,3-4,9-10,13-17H2
InChIKeyDJWSJSSCBQPCBB-UHFFFAOYSA-N
XLogP4.19
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone 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

N-pyridin-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267378
N-[amino(pyridin-2-yl)methylidene]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 143868545
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16594851
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110389044
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 146124118
(4-pyridin-2-ylpiperazin-1-yl)-[4-[4-(trifluoromethyl)phenyl]phenyl]methanone
CID 15950861
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614857
(2-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 16546256
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 51054862

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone?
The IUPAC name of (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone (CID 58267470) is (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone.
What is the SMILES notation for (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone?
The canonical SMILES for (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone is O=C(c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone?
The InChIKey is DJWSJSSCBQPCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O/c26-25(27,28)23-20-9-3-4-10-21(20)33(30-23)17-18-7-1-2-8-19(18)24(34)32-15-13-31(14-16-32)22-11-5-6-12-29-22/h1-2,5-8,11-12H,3-4,9-10,13-17H2.
What are the key properties of (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone?
(4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone has a molecular weight of 469.51 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylpiperazin-1-yl)-[2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]phenyl]methanone is sourced from PubChem (CID 58267470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).