2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one

C24H20F6N6O2 — CID 169118447

IUPAC2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one
SMILESC[C@@H](CCCn1ccc2cc(-c3ccc(C(F)(F)F)cn3)ncc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C24H20F6N6O2/c1-13(34-19-12-33-35-21(37)20(19)24(28,29)30)3-2-7-36-8-6-14-9-18(32-11-16(14)22(36)38)17-5-4-15(10-31-17)23(25,26)27/h4-6,8-13H,2-3,7H2,1H3,(H2,34,35,37)/t13-/m0/s1
InChIKeyQGPDTQSIWBIFLV-ZDUSSCGKSA-N
MW538.45 g/mol
LogP4.86
Rot. Bonds7

About 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one

2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one (PubChem CID 169118447) has the molecular formula C24H20F6N6O2 and a molecular weight of 538.45 g/mol. Its IUPAC name is 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one
PubChem CID169118447
Molecular FormulaC24H20F6N6O2
Molecular Weight538.45 g/mol
Exact Mass538.16
IUPAC Name2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one
SMILESC[C@@H](CCCn1ccc2cc(-c3ccc(C(F)(F)F)cn3)ncc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C24H20F6N6O2/c1-13(34-19-12-33-35-21(37)20(19)24(28,29)30)3-2-7-36-8-6-14-9-18(32-11-16(14)22(36)38)17-5-4-15(10-31-17)23(25,26)27/h4-6,8-13H,2-3,7H2,1H3,(H2,34,35,37)/t13-/m0/s1
InChIKeyQGPDTQSIWBIFLV-ZDUSSCGKSA-N
XLogP4.86
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.45
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one 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

6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
8-[[4-fluoro-3-(4-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 25120129
N-((R)-1-(5-((2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl)-3-fluoropyridin-2-yl)ethyl)-1-ethyl-2-(3-fluoro-5-(trifluoromethyl)benzoyl)hydrazinecarboxamide
CID 46230067
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N-{(4-Hydroxy-phthalazin-1-yl)-[1-pyridin-3-yl-meth-(E)-ylidene-hydrazinocarbonyl]-methyl}-benzamide
CID 9625003
4-[[3,4-difluoro-5-(4-pyridin-4-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 145963753
4-oxo-N-(pyridin-2-ylmethyl)-3H-phthalazine-1-carboxamide
CID 2114581
N-[2-(4-Fluoro-benzoylamino)-ethyl]-6-methyl-nicotinamide
CID 6498619
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2(1H)-yl]acetamide
CID 20875787
N-(3,4-difluorophenyl)-1-[(6-methyl-3-pyridinyl)carbonyl]-3-piperidinamine
CID 24791780
2-methyl-N-(4-(trifluoromethyl)phenyl)-6-(3-(trifluoromethyl)pyridin-2-yl)nicotinamide
CID 10387678
N-(3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-nicotinamide
CID 10457336

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one?
The IUPAC name of 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one (CID 169118447) is 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one is C[C@@H](CCCn1ccc2cc(-c3ccc(C(F)(F)F)cn3)ncc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one?
The InChIKey is QGPDTQSIWBIFLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H20F6N6O2/c1-13(34-19-12-33-35-21(37)20(19)24(28,29)30)3-2-7-36-8-6-14-9-18(32-11-16(14)22(36)38)17-5-4-15(10-31-17)23(25,26)27/h4-6,8-13H,2-3,7H2,1H3,(H2,34,35,37)/t13-/m0/s1.
What are the key properties of 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one?
2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one has a molecular weight of 538.45 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-6-[5-(trifluoromethyl)-2-pyridinyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 169118447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).