1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)

C24H24F6N4O5 — CID 154886062

IUPAC1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC1(c2ccccn2)CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C20H22N4O.2C2HF3O2/c25-20(19-8-4-5-11-21-19)9-12-24(13-10-20)15-17-14-18(23-22-17)16-6-2-1-3-7-16;2*3-2(4,5)1(6)7/h1-8,11,14,25H,9-10,12-13,15H2,(H,22,23);2*(H,6,7)
InChIKeyPNVBUNHYKWMROG-UHFFFAOYSA-N
MW562.47 g/mol
LogP4.22
Rot. Bonds4

About 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)

1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 154886062) has the molecular formula C24H24F6N4O5 and a molecular weight of 562.47 g/mol. Its IUPAC name is 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
PubChem CID154886062
Molecular FormulaC24H24F6N4O5
Molecular Weight562.47 g/mol
Exact Mass562.17
IUPAC Name1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC1(c2ccccn2)CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C20H22N4O.2C2HF3O2/c25-20(19-8-4-5-11-21-19)9-12-24(13-10-20)15-17-14-18(23-22-17)16-6-2-1-3-7-16;2*3-2(4,5)1(6)7/h1-8,11,14,25H,9-10,12-13,15H2,(H,22,23);2*(H,6,7)
InChIKeyPNVBUNHYKWMROG-UHFFFAOYSA-N
XLogP4.22
TPSA139.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.47
LogP ≤ 54.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic 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

(1R)-1-(2-fluorophenyl)-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethanol
CID 97837251
(+/-)-5-(4-Fluorophenyl)-3-(7-hydroxy-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(pyridin-4-yl)pyrazole
CID 9929658
2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
CID 11552812
2-[4-[4-[[3-methyl-4-[6-(trifluoromethyl)pyridin-3-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetic acid
CID 24866462
(2R,3S,5R)-2-(2,5-difluorophenyl)-5-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-1-(2-pyridin-2-ylethyl)piperidin-3-amine;tris(2,2,2-trifluoroacetic acid)
CID 25196260
4-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine-2-carboxylic acid
CID 54054995
1-[[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]piperazine-2-carboxylic acid
CID 57008055
2-[4-[4-[[(3R)-3-methyl-4-[6-(trifluoromethyl)pyridin-3-yl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenyl]acetic acid
CID 57999587
[4-hydroxy-4-[3-(trifluoromethyl)pyridin-2-yl]piperidin-1-yl]-[5-(1H-pyrazol-4-yl)-2,3-dihydrothiophen-3-yl]methanone
CID 68209470
3-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]pentan-3-ol
CID 69350180
2-[5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-2-pyridinyl]propan-2-ol
CID 69350335
1-fluoro-2-[6-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-3-pyridinyl]propan-2-ol
CID 69350759

Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) (CID 154886062) is 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC1(c2ccccn2)CCN(Cc2cc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is PNVBUNHYKWMROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O.2C2HF3O2/c25-20(19-8-4-5-11-21-19)9-12-24(13-10-20)15-17-14-18(23-22-17)16-6-2-1-3-7-16;2*3-2(4,5)1(6)7/h1-8,11,14,25H,9-10,12-13,15H2,(H,22,23);2*(H,6,7).
What are the key properties of 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid)?
1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 562.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyl-1H-pyrazol-5-yl)methyl]-4-pyridin-2-ylpiperidin-4-ol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 154886062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).