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

C20H27F3N8 — CID 78054613

IUPAC3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFC(F)(F)Cn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cn1
InChIInChI=1S/C20H27F3N8/c21-20(22,23)12-31-11-13(9-26-31)16-8-14-17(10-25-16)28-29-19(14)15-2-1-3-18(27-15)30-6-4-24-5-7-30/h1-3,9,11,14,16-17,19,24-25,28-29H,4-8,10,12H2
InChIKeyAYMMVCJIQKGAEN-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.12
Rot. Bonds4

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

3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 78054613) has the molecular formula C20H27F3N8 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID78054613
Molecular FormulaC20H27F3N8
Molecular Weight436.49 g/mol
Exact Mass436.23
IUPAC Name3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFC(F)(F)Cn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cn1
InChIInChI=1S/C20H27F3N8/c21-20(22,23)12-31-11-13(9-26-31)16-8-14-17(10-25-16)28-29-19(14)15-2-1-3-18(27-15)30-6-4-24-5-7-30/h1-3,9,11,14,16-17,19,24-25,28-29H,4-8,10,12H2
InChIKeyAYMMVCJIQKGAEN-UHFFFAOYSA-N
XLogP1.12
TPSA82.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

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
(S)-1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253342
(3S)-1-[3-methyl-6-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 71253383
5-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253391
3-(6-(piperazin-1-yl)pyridin-2-yl)-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253554
5-(1-ethylpyrazol-4-yl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253671
5-(1-methyl-1H-pyrazol-4-yl)-3-(6-(piperazin-1-yl)pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71253734
(S)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253771
5-(5-methyl-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253796
(R)-1-(6-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)piperidin-3-amine
CID 71253835

Frequently Asked Questions

What is the IUPAC name of 3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 78054613) is 3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-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-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is FC(F)(F)Cn1cc(C2CC3C(CN2)NNC3c2cccc(N3CCNCC3)n2)cn1.
What is the InChIKey of 3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is AYMMVCJIQKGAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N8/c21-20(22,23)12-31-11-13(9-26-31)16-8-14-17(10-25-16)28-29-19(14)15-2-1-3-18(27-15)30-6-4-24-5-7-30/h1-3,9,11,14,16-17,19,24-25,28-29H,4-8,10,12H2.
What are the key properties of 3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 436.49 g/mol, XLogP of 1.12, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-piperazin-1-yl-2-pyridinyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 78054613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).