2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine

C26H22F5N5O — CID 71495496

IUPAC2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(-c2cc(F)cc(F)c2)nn1-c1ccccn1
InChIInChI=1S/C26H22F5N5O/c1-16-15-35(23-6-5-18(14-33-23)26(29,30)31)9-7-22(16)37-25-13-21(17-10-19(27)12-20(28)11-17)34-36(25)24-4-2-3-8-32-24/h2-6,8,10-14,16,22H,7,9,15H2,1H3/t16-,22-/m0/s1
InChIKeyJCHIMDYEBGIEIE-AOMKIAJQSA-N
MW515.49 g/mol
LogP5.92
Rot. Bonds5

About 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine

2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 71495496) has the molecular formula C26H22F5N5O and a molecular weight of 515.49 g/mol. Its IUPAC name is 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID71495496
Molecular FormulaC26H22F5N5O
Molecular Weight515.49 g/mol
Exact Mass515.17
IUPAC Name2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(-c2cc(F)cc(F)c2)nn1-c1ccccn1
InChIInChI=1S/C26H22F5N5O/c1-16-15-35(23-6-5-18(14-33-23)26(29,30)31)9-7-22(16)37-25-13-21(17-10-19(27)12-20(28)11-17)34-36(25)24-4-2-3-8-32-24/h2-6,8,10-14,16,22H,7,9,15H2,1H3/t16-,22-/m0/s1
InChIKeyJCHIMDYEBGIEIE-AOMKIAJQSA-N
XLogP5.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.49
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine 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

5-cyclopropyl-2-{4-[(2-fluorophenyl)methyl]-5-methyl-3-(propan-2-yloxy)-1H-pyrazol-1-yl}pyrimidine
CID 118430504
6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine
CID 155817683
N-butyl-4-[7-(2-fluoroethoxy)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 10159318
3-(6-(4-Fluorobenzyloxy)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158660
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
6-(2-Fluoro-6-methoxyphenyl)-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridine
CID 162643523
4-[6-[6-(2-Fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]morpholine
CID 162648867
6-(2-Fluoro-6-methoxyphenyl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazolo[4,3-c]pyridine
CID 162666705
6-(2-Fluoro-6-methoxyphenyl)-1-(6-piperidin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridine
CID 162675458
4-[6-[3-(5-Methylpyrazol-1-yl)propoxy]pyrimidin-4-yl]-2-phenylmorpholine
CID 166631388
Ipp/cnrs-A019
CID 118430525
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyrimidine
CID 118430537

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 71495496) is 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine is C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CC[C@@H]1Oc1cc(-c2cc(F)cc(F)c2)nn1-c1ccccn1.
What is the InChIKey of 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is JCHIMDYEBGIEIE-AOMKIAJQSA-N. The full InChI is InChI=1S/C26H22F5N5O/c1-16-15-35(23-6-5-18(14-33-23)26(29,30)31)9-7-22(16)37-25-13-21(17-10-19(27)12-20(28)11-17)34-36(25)24-4-2-3-8-32-24/h2-6,8,10-14,16,22H,7,9,15H2,1H3/t16-,22-/m0/s1.
What are the key properties of 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 515.49 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-[3-(3,5-difluorophenyl)-1-pyridin-2-ylpyrazol-5-yl]oxy-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 71495496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).