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

C24H30F4N4O — CID 118561212

IUPAC1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone
SMILESCC(C)N1CCCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1
InChIInChI=1S/C24H30F4N4O/c1-16(2)30-10-3-4-18(13-30)12-22(33)31-11-9-20-21(15-31)32(29-23(20)24(26,27)28)14-17-5-7-19(25)8-6-17/h5-8,16,18H,3-4,9-15H2,1-2H3
InChIKeyFEMJKUMFGGBKFA-UHFFFAOYSA-N
MW466.52 g/mol
LogP4.48
Rot. Bonds5

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

1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone (PubChem CID 118561212) has the molecular formula C24H30F4N4O and a molecular weight of 466.52 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone
PubChem CID118561212
Molecular FormulaC24H30F4N4O
Molecular Weight466.52 g/mol
Exact Mass466.24
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone
SMILESCC(C)N1CCCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1
InChIInChI=1S/C24H30F4N4O/c1-16(2)30-10-3-4-18(13-30)12-22(33)31-11-9-20-21(15-31)32(29-23(20)24(26,27)28)14-17-5-7-19(25)8-6-17/h5-8,16,18H,3-4,9-15H2,1-2H3
InChIKeyFEMJKUMFGGBKFA-UHFFFAOYSA-N
XLogP4.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone (CID 118561212) is 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone is CC(C)N1CCCC(CC(=O)N2CCc3c(C(F)(F)F)nn(Cc4ccc(F)cc4)c3C2)C1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone?
The InChIKey is FEMJKUMFGGBKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4N4O/c1-16(2)30-10-3-4-18(13-30)12-22(33)31-11-9-20-21(15-31)32(29-23(20)24(26,27)28)14-17-5-7-19(25)8-6-17/h5-8,16,18H,3-4,9-15H2,1-2H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone?
1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone has a molecular weight of 466.52 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpiperidin-3-yl)ethanone is sourced from PubChem (CID 118561212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).