2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

C23H34F3N3O — CID 144973721

IUPAC2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCc2c(C(F)(F)F)nn(CCC3CCCCC3)c2C1
InChIInChI=1S/C23H34F3N3O/c24-23(25,26)22-19-12-13-28(21(30)15-18-9-5-2-6-10-18)16-20(19)29(27-22)14-11-17-7-3-1-4-8-17/h17-18H,1-16H2
InChIKeyQKAHGJHAMFSTQS-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.73
Rot. Bonds5

About 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone

2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (PubChem CID 144973721) has the molecular formula C23H34F3N3O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
PubChem CID144973721
Molecular FormulaC23H34F3N3O
Molecular Weight425.54 g/mol
Exact Mass425.27
IUPAC Name2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCc2c(C(F)(F)F)nn(CCC3CCCCC3)c2C1
InChIInChI=1S/C23H34F3N3O/c24-23(25,26)22-19-12-13-28(21(30)15-18-9-5-2-6-10-18)16-20(19)29(27-22)14-11-17-7-3-1-4-8-17/h17-18H,1-16H2
InChIKeyQKAHGJHAMFSTQS-UHFFFAOYSA-N
XLogP5.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone (CID 144973721) is 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is O=C(CC1CCCCC1)N1CCc2c(C(F)(F)F)nn(CCC3CCCCC3)c2C1.
What is the InChIKey of 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
The InChIKey is QKAHGJHAMFSTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3N3O/c24-23(25,26)22-19-12-13-28(21(30)15-18-9-5-2-6-10-18)16-20(19)29(27-22)14-11-17-7-3-1-4-8-17/h17-18H,1-16H2.
What are the key properties of 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone?
2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone has a molecular weight of 425.54 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[1-(2-cyclohexylethyl)-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone is sourced from PubChem (CID 144973721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).