[6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate

C14H15F3N4O2 — CID 67082368

IUPAC[6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2n[nH]c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C14H15F3N4O2/c1-8-4-6-21(7-5-8)13(22)23-12-9-2-3-10(14(15,16)17)18-11(9)19-20-12/h2-3,8H,4-7H2,1H3,(H,18,19,20)
InChIKeyWEBVQFWTKXJGSV-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.21
Rot. Bonds1

About [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate

[6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate (PubChem CID 67082368) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate
PubChem CID67082368
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name[6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2n[nH]c3nc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C14H15F3N4O2/c1-8-4-6-21(7-5-8)13(22)23-12-9-2-3-10(14(15,16)17)18-11(9)19-20-12/h2-3,8H,4-7H2,1H3,(H,18,19,20)
InChIKeyWEBVQFWTKXJGSV-UHFFFAOYSA-N
XLogP3.21
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl N,N-dimethylcarbamate
CID 2819112
[4-methyl-3-(4-methylpiperidine-1-carbonyl)oxy-1H-pyrazolo[3,4-b]pyridin-6-yl] 4,4-difluoropiperidine-1-carboxylate
CID 67082129
[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[3,4-b]pyridin-6-yl] 4-methylpiperazine-1-carboxylate
CID 67082132
[4-methyl-6-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[3,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate
CID 67082175
1-(4-Methylpiperidine-1-carbonyl)-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-3-yl 4-methylpiperidine-1-carboxylate
CID 68454533
(6-chloro-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl) 4-(trifluoromethyl)piperidine-1-carboxylate
CID 87261305
(6-chloro-4-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl) 4,4-difluoropiperidine-1-carboxylate
CID 87261350
[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[3,4-b]pyridin-6-yl] 4-(trifluoromethyl)piperidine-1-carboxylate
CID 87261367
[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 2-(trifluoromethyl)piperidine-1-carboxylate
CID 87926271
[1-(4-Methylpiperidine-1-carbonyl)-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-3-yl] (4-methylpiperidin-1-yl) carbonate
CID 117701469
[4-methyl-3-[4-(trifluoromethyl)piperidine-1-carbonyl]oxy-1H-pyrazolo[5,4-b]pyridin-6-yl] 2H-pyrazine-1-carboxylate
CID 142684558
2-(4-fluorophenyl)-1-[3-(6-methoxy-2H-pyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]ethanone
CID 178098691

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate?
The IUPAC name of [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate (CID 67082368) is [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate?
The canonical SMILES for [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)Oc2n[nH]c3nc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate?
The InChIKey is WEBVQFWTKXJGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-8-4-6-21(7-5-8)13(22)23-12-9-2-3-10(14(15,16)17)18-11(9)19-20-12/h2-3,8H,4-7H2,1H3,(H,18,19,20).
What are the key properties of [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate?
[6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate has a molecular weight of 328.29 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-yl] 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 67082368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).