3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C21H26F3N7 — CID 78054636

IUPAC3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFC(F)(F)c1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)c1
InChIInChI=1S/C21H26F3N7/c22-21(23,24)14-8-13(10-26-11-14)17-9-15-18(12-27-17)29-30-20(15)16-2-1-3-19(28-16)31-6-4-25-5-7-31/h1-3,8,10-11,15,17-18,20,25,27,29-30H,4-7,9,12H2
InChIKeyJUOFBVASCCPFDZ-UHFFFAOYSA-N
MW433.48 g/mol
LogP1.77
Rot. Bonds3

About 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 78054636) has the molecular formula C21H26F3N7 and a molecular weight of 433.48 g/mol. Its IUPAC name is 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID78054636
Molecular FormulaC21H26F3N7
Molecular Weight433.48 g/mol
Exact Mass433.22
IUPAC Name3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFC(F)(F)c1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)c1
InChIInChI=1S/C21H26F3N7/c22-21(23,24)14-8-13(10-26-11-14)17-9-15-18(12-27-17)29-30-20(15)16-2-1-3-19(28-16)31-6-4-25-5-7-31/h1-3,8,10-11,15,17-18,20,25,27,29-30H,4-7,9,12H2
InChIKeyJUOFBVASCCPFDZ-UHFFFAOYSA-N
XLogP1.77
TPSA77.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 51.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine with MolForge

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Related Compounds

N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
Isopropyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899553
Cyclohexyl-[6-piperazin-1-yl-4-(1H-pyrazol-4-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46902013
4-amino-1-[[6-(2-piperidin-1-ylethylamino)-3-pyridinyl]methyl]-6-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 56669090
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253554
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796
6-(3-piperazin-4-ium-1-ylphenyl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin-2-amine
CID 72200762
Cyclohexyl-[6-piperazin-1-yl-4-(2H-pyrazol-3-yl)[2,4'']bipyridinyl-2''-yl]amine
CID 46899552
Cyclohexyl-(6-piperazin-1-yl-4-trifluoromethyl[2,4'']bipyridinyl-2''-yl)amine
CID 46899904
Cyclohexyl-(4-difluoromethyl-6-piperazin-1-yl[2,4'']bipyridinyl-2''-yl)amine
CID 46899905

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 78054636) is 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is FC(F)(F)c1cncc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)c1.
What is the InChIKey of 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is JUOFBVASCCPFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N7/c22-21(23,24)14-8-13(10-26-11-14)17-9-15-18(12-27-17)29-30-20(15)16-2-1-3-19(28-16)31-6-4-25-5-7-31/h1-3,8,10-11,15,17-18,20,25,27,29-30H,4-7,9,12H2.
What are the key properties of 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 433.48 g/mol, XLogP of 1.77, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperazin-1-yl-2-pyridinyl)-5-[5-(trifluoromethyl)-3-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 78054636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).