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

C21H27FN6 — CID 123133168

IUPAC3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFC1(c2cccc(C3NNC4CNC(c5cccnc5)CC43)n2)CCNCC1
InChIInChI=1S/C21H27FN6/c22-21(6-9-23-10-7-21)19-5-1-4-16(26-19)20-15-11-17(14-3-2-8-24-12-14)25-13-18(15)27-28-20/h1-5,8,12,15,17-18,20,23,25,27-28H,6-7,9-11,13H2
InChIKeyFRUBAKSITQWPRN-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.89
Rot. Bonds3

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

3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123133168) has the molecular formula C21H27FN6 and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID123133168
Molecular FormulaC21H27FN6
Molecular Weight382.49 g/mol
Exact Mass382.23
IUPAC Name3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFC1(c2cccc(C3NNC4CNC(c5cccnc5)CC43)n2)CCNCC1
InChIInChI=1S/C21H27FN6/c22-21(6-9-23-10-7-21)19-5-1-4-16(26-19)20-15-11-17(14-3-2-8-24-12-14)25-13-18(15)27-28-20/h1-5,8,12,15,17-18,20,23,25,27-28H,6-7,9-11,13H2
InChIKeyFRUBAKSITQWPRN-UHFFFAOYSA-N
XLogP1.89
TPSA73.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]methyl]piperazine
CID 44453570
5-(5-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054551
1-[5-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]azepan-4-amine
CID 78054610
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
5-(6-fluoro-3-pyridinyl)-3-(6-piperazin-1-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
CID 78054707
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 122362961
N-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 122362962
(3S)-1-[5-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]piperidin-3-amine
CID 123132998
(3S)-1-[5-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pyrrolidin-3-amine
CID 123133005
(3R)-1-[5-[3-(2-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]pyrrolidin-3-amine
CID 123133007
(3S)-1-[6-[5-(5-fluoro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 123133017
(3R)-1-[6-[5-(5-fluoro-3-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]piperidin-3-amine
CID 123133020

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 123133168) is 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is FC1(c2cccc(C3NNC4CNC(c5cccnc5)CC43)n2)CCNCC1.
What is the InChIKey of 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is FRUBAKSITQWPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6/c22-21(6-9-23-10-7-21)19-5-1-4-16(26-19)20-15-11-17(14-3-2-8-24-12-14)25-13-18(15)27-28-20/h1-5,8,12,15,17-18,20,23,25,27-28H,6-7,9-11,13H2.
What are the key properties of 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 382.49 g/mol, XLogP of 1.89, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluoropiperidin-4-yl)-2-pyridinyl]-5-pyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123133168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).