2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

C22H24F3N5O — CID 66644355

IUPAC2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1N1CCCCC1)c1cccc2cnccc12
InChIInChI=1S/C22H24F3N5O/c1-15(18-7-5-6-16-13-26-9-8-19(16)18)21(31)27-14-17-12-20(22(23,24)25)28-30(17)29-10-3-2-4-11-29/h5-9,12-13,15H,2-4,10-11,14H2,1H3,(H,27,31)
InChIKeyFTWIYSVMIFENFJ-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.99
Rot. Bonds5

About 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (PubChem CID 66644355) has the molecular formula C22H24F3N5O and a molecular weight of 431.46 g/mol. Its IUPAC name is 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
PubChem CID66644355
Molecular FormulaC22H24F3N5O
Molecular Weight431.46 g/mol
Exact Mass431.19
IUPAC Name2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1N1CCCCC1)c1cccc2cnccc12
InChIInChI=1S/C22H24F3N5O/c1-15(18-7-5-6-16-13-26-9-8-19(16)18)21(31)27-14-17-12-20(22(23,24)25)28-30(17)29-10-3-2-4-11-29/h5-9,12-13,15H,2-4,10-11,14H2,1H3,(H,27,31)
InChIKeyFTWIYSVMIFENFJ-UHFFFAOYSA-N
XLogP3.99
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (CID 66644355) is 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is CC(C(=O)NCc1cc(C(F)(F)F)nn1N1CCCCC1)c1cccc2cnccc12.
What is the InChIKey of 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The InChIKey is FTWIYSVMIFENFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O/c1-15(18-7-5-6-16-13-26-9-8-19(16)18)21(31)27-14-17-12-20(22(23,24)25)28-30(17)29-10-3-2-4-11-29/h5-9,12-13,15H,2-4,10-11,14H2,1H3,(H,27,31).
What are the key properties of 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide has a molecular weight of 431.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-yl-N-[[1-piperidin-1-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 66644355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).