[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

C22H26F4N4O2 — CID 118489399

IUPAC[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESCOCCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1
InChIInChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)
InChIKeyXPZSJBRIZGQERI-UHFFFAOYSA-N
MW454.47 g/mol
LogP3.59
Rot. Bonds5

About [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone

[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (PubChem CID 118489399) has the molecular formula C22H26F4N4O2 and a molecular weight of 454.47 g/mol. Its IUPAC name is [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
PubChem CID118489399
Molecular FormulaC22H26F4N4O2
Molecular Weight454.47 g/mol
Exact Mass454.20
IUPAC Name[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone
SMILESCOCCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1
InChIInChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28)
InChIKeyXPZSJBRIZGQERI-UHFFFAOYSA-N
XLogP3.59
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone with MolForge

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Related Compounds

Tinlarebant
CID 92044505
5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
CID 71680628
[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 118483372
[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118483410
3-[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carbonitrile
CID 118483425
1-[3-[4-[3,5-Bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 118483501
1-[3-[4-[3-Fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 118483546
[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 72195779
(6-fluoro-1H-indazol-3-yl)(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)methanone
CID 118872305
(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 118872370
3-[4-(2-Chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
CID 118483414
[1-(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 24818868

Frequently Asked Questions

What is the IUPAC name of [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The IUPAC name of [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone (CID 118489399) is [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone.
What is the SMILES notation for [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The canonical SMILES for [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is COCCN1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1.
What is the InChIKey of [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
The InChIKey is XPZSJBRIZGQERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N4O2/c1-32-12-11-29-8-7-16-18(13-29)27-28-20(16)21(31)30-9-5-14(6-10-30)15-3-2-4-17(23)19(15)22(24,25)26/h2-4,14H,5-13H2,1H3,(H,27,28).
What are the key properties of [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone?
[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone has a molecular weight of 454.47 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[6-(2-methoxyethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl]methanone is sourced from PubChem (CID 118489399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).