[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone

C23H22F5N5O2 — CID 130298604

IUPAC[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
SMILESC[C@@H]1CC(F)(F)CN(C(=O)c2nn(C)cc2-c2ccccn2)[C@@H]1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H22F5N5O2/c1-14-9-22(24,25)13-33(18(14)12-35-19-7-6-15(10-30-19)23(26,27)28)21(34)20-16(11-32(2)31-20)17-5-3-4-8-29-17/h3-8,10-11,14,18H,9,12-13H2,1-2H3/t14-,18-/m1/s1
InChIKeyMAHMAHCSODIXSE-RDTXWAMCSA-N
MW495.45 g/mol
LogP4.46
Rot. Bonds5

About [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone

[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone (PubChem CID 130298604) has the molecular formula C23H22F5N5O2 and a molecular weight of 495.45 g/mol. Its IUPAC name is [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
PubChem CID130298604
Molecular FormulaC23H22F5N5O2
Molecular Weight495.45 g/mol
Exact Mass495.17
IUPAC Name[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
SMILESC[C@@H]1CC(F)(F)CN(C(=O)c2nn(C)cc2-c2ccccn2)[C@@H]1COc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C23H22F5N5O2/c1-14-9-22(24,25)13-33(18(14)12-35-19-7-6-15(10-30-19)23(26,27)28)21(34)20-16(11-32(2)31-20)17-5-3-4-8-29-17/h3-8,10-11,14,18H,9,12-13H2,1-2H3/t14-,18-/m1/s1
InChIKeyMAHMAHCSODIXSE-RDTXWAMCSA-N
XLogP4.46
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.45
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)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

[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
CID 130341544
[(2S)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone
CID 138624103
[(3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-[4-(5-fluoropyrimidin-2-yl)-1-methylpyrazol-3-yl]methanone
CID 138624143
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 130298567
[5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(1-methyl-4-phenylpyrazol-3-yl)methanone
CID 146799879
[5,5-difluoro-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-[1-methyl-4-(5-methyl-2-pyridinyl)pyrazol-3-yl]methanone
CID 147744852
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[4-(3-fluoro-2-pyridinyl)-1-methylpyrazol-3-yl]methanone
CID 130342235
[5-chloro-2-(2-methyltetrazol-5-yl)phenyl]-[5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 130342107
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[4-(4-methoxyphenyl)-1-methylpyrazol-3-yl]methanone
CID 138624274
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(3-methyl-3-pyrimidin-2-yl-2H-pyridin-2-yl)methanone
CID 130298546
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-3-yl]methanone
CID 130298671
[(5R,6S)-2,2-difluoro-6-methyl-5-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]morpholin-4-yl]-(1-methyl-4-pyrimidin-2-ylpyrazol-3-yl)methanone
CID 176684329

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone?
The IUPAC name of [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone (CID 130298604) is [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone is C[C@@H]1CC(F)(F)CN(C(=O)c2nn(C)cc2-c2ccccn2)[C@@H]1COc1ccc(C(F)(F)F)cn1.
What is the InChIKey of [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone?
The InChIKey is MAHMAHCSODIXSE-RDTXWAMCSA-N. The full InChI is InChI=1S/C23H22F5N5O2/c1-14-9-22(24,25)13-33(18(14)12-35-19-7-6-15(10-30-19)23(26,27)28)21(34)20-16(11-32(2)31-20)17-5-3-4-8-29-17/h3-8,10-11,14,18H,9,12-13H2,1-2H3/t14-,18-/m1/s1.
What are the key properties of [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone?
[(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone has a molecular weight of 495.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-5,5-difluoro-3-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-(1-methyl-4-pyridin-2-ylpyrazol-3-yl)methanone is sourced from PubChem (CID 130298604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).