[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol

C21H22F8N4O — CID 131966409

IUPAC[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol
SMILESOC(c1n[nH]c2c1CCN(CC(F)(F)F)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
InChIInChI=1S/C21H22F8N4O/c22-14-2-1-12(16(17(14)23)21(27,28)29)11-3-7-33(8-4-11)19(34)18-13-5-6-32(10-20(24,25)26)9-15(13)30-31-18/h1-2,11,19,34H,3-10H2,(H,30,31)
InChIKeyILVFIKGXIPPGNU-UHFFFAOYSA-N
MW498.42 g/mol
LogP4.50
Rot. Bonds4

About [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol

[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol (PubChem CID 131966409) has the molecular formula C21H22F8N4O and a molecular weight of 498.42 g/mol. Its IUPAC name is [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol
PubChem CID131966409
Molecular FormulaC21H22F8N4O
Molecular Weight498.42 g/mol
Exact Mass498.17
IUPAC Name[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol
SMILESOC(c1n[nH]c2c1CCN(CC(F)(F)F)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1
InChIInChI=1S/C21H22F8N4O/c22-14-2-1-12(16(17(14)23)21(27,28)29)11-3-7-33(8-4-11)19(34)18-13-5-6-32(10-20(24,25)26)9-15(13)30-31-18/h1-2,11,19,34H,3-10H2,(H,30,31)
InChIKeyILVFIKGXIPPGNU-UHFFFAOYSA-N
XLogP4.50
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.42
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol 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

(6-methylsulfonyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol
CID 123387571
4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl-[5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanol
CID 123467729
[4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-yl)methanol
CID 123632127
[3-[[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 123762623
1-[3-[[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]propan-1-one
CID 123790468
Tert-butyl 3-[[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
CID 124036340
[(2-fluorophenyl)methyl-[2-(oxan-4-yl)ethyl]amino]-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 130312342
[(2-fluorophenyl)methyl-(2-pyrrolidin-1-ylethyl)amino]-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 130313125
[(2-fluorophenyl)methyl-(oxan-4-ylmethyl)amino]-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 130313169
[(5-amino-2-fluorophenyl)methyl-[2-(azepan-1-yl)ethyl]amino]-[3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
CID 130313213
1-[3-[[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]-2-methylpropan-1-one
CID 131966376
Methyl 3-[[4-[3,5-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-hydroxymethyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate
CID 134224561

Frequently Asked Questions

What is the IUPAC name of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol?
The IUPAC name of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol (CID 131966409) is [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol.
What is the SMILES notation for [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol?
The canonical SMILES for [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol is OC(c1n[nH]c2c1CCN(CC(F)(F)F)C2)N1CCC(c2ccc(F)c(F)c2C(F)(F)F)CC1.
What is the InChIKey of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol?
The InChIKey is ILVFIKGXIPPGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F8N4O/c22-14-2-1-12(16(17(14)23)21(27,28)29)11-3-7-33(8-4-11)19(34)18-13-5-6-32(10-20(24,25)26)9-15(13)30-31-18/h1-2,11,19,34H,3-10H2,(H,30,31).
What are the key properties of [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol?
[4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol has a molecular weight of 498.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanol is sourced from PubChem (CID 131966409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).