2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

C24H28F4N4O — CID 118561598

IUPAC2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESO=C(CC1CCN2CCCC2C1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H28F4N4O/c25-18-5-3-16(4-6-18)14-32-21-15-31(11-8-20(21)23(29-32)24(26,27)28)22(33)13-17-7-10-30-9-1-2-19(30)12-17/h3-6,17,19H,1-2,7-15H2
InChIKeyRVJFJOHFHLJECS-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.24
Rot. Bonds4

About 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (PubChem CID 118561598) has the molecular formula C24H28F4N4O and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
PubChem CID118561598
Molecular FormulaC24H28F4N4O
Molecular Weight464.51 g/mol
Exact Mass464.22
IUPAC Name2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESO=C(CC1CCN2CCCC2C1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C24H28F4N4O/c25-18-5-3-16(4-6-18)14-32-21-15-31(11-8-20(21)23(29-32)24(26,27)28)22(33)13-17-7-10-30-9-1-2-19(30)12-17/h3-6,17,19H,1-2,7-15H2
InChIKeyRVJFJOHFHLJECS-UHFFFAOYSA-N
XLogP4.24
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The IUPAC name of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (CID 118561598) is 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The canonical SMILES for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is O=C(CC1CCN2CCCC2C1)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The InChIKey is RVJFJOHFHLJECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O/c25-18-5-3-16(4-6-18)14-32-21-15-31(11-8-20(21)23(29-32)24(26,27)28)22(33)13-17-7-10-30-9-1-2-19(30)12-17/h3-6,17,19H,1-2,7-15H2.
What are the key properties of 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone has a molecular weight of 464.51 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 118561598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).