N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide

C23H24F3N5O2 — CID 175681731

IUPACN-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)CC2)cn1
InChIInChI=1S/C23H24F3N5O2/c1-14-18-12-28-16(9-15(18)10-20(32)21(14)23(24,25)26)13-30-5-7-31(8-6-30)17-3-4-19(29-11-17)22(33)27-2/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H,27,33)
InChIKeyRVKIODKELWOUEW-UHFFFAOYSA-N
MW459.47 g/mol
LogP2.62
Rot. Bonds4

About N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 175681731) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID175681731
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)CC2)cn1
InChIInChI=1S/C23H24F3N5O2/c1-14-18-12-28-16(9-15(18)10-20(32)21(14)23(24,25)26)13-30-5-7-31(8-6-30)17-3-4-19(29-11-17)22(33)27-2/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H,27,33)
InChIKeyRVKIODKELWOUEW-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 175681736
N-methyl-5-[(3S)-3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 175681744
3-amino-5-[[4-[6-(methylcarbamoyl)-3-pyridinyl]piperazin-1-yl]methyl]pyridine-2-carboxylic acid
CID 169102595
N-methyl-5-[4-[[3-oxo-2-(2,2,2-trifluoroethyl)-4H-quinoxalin-6-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 155586953
5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-1,5-naphthyridin-3-yl]methyl]piperazin-1-yl]-N-(trideuteriomethyl)pyridine-2-carboxamide
CID 172548676
5-[4-[(2,4-dioxo-1H-thieno[2,3-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981704
5-[4-[(2,5-dimethyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 162524582
5-[4-[(9-fluoro-4-oxo-1,2,3,5-tetrahydrocyclopenta[c]quinolin-7-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 168982766
5-[4-[(2,6-dioxo-3,7-dihydropurin-8-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 170981056
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
N-methyl-5-[4-[(3-oxospiro[4H-1,4-benzoxazine-2,3'-oxetane]-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189761
N-methyl-5-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
CID 169189557

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 175681731) is N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is RVKIODKELWOUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-14-18-12-28-16(9-15(18)10-20(32)21(14)23(24,25)26)13-30-5-7-31(8-6-30)17-3-4-19(29-11-17)22(33)27-2/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H,27,33).
What are the key properties of N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-isoquinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175681731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).