7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one

C21H18ClF4N5O2 — CID 146467183

IUPAC7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one
SMILESCN(c1ccc(F)cc1C(F)(F)F)c1cc(=O)n(C)c2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C21H18ClF4N5O2/c1-29(14-4-3-11(23)7-13(14)21(24,25)26)15-8-18(32)30(2)17-10-31(6-5-12(15)17)16-9-27-28-20(33)19(16)22/h3-4,7-9H,5-6,10H2,1-2H3,(H,28,33)
InChIKeyMTAMVXLVUOGJIU-UHFFFAOYSA-N
MW483.85 g/mol
LogP3.61
Rot. Bonds3

About 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one

7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one (PubChem CID 146467183) has the molecular formula C21H18ClF4N5O2 and a molecular weight of 483.85 g/mol. Its IUPAC name is 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one
PubChem CID146467183
Molecular FormulaC21H18ClF4N5O2
Molecular Weight483.85 g/mol
Exact Mass483.11
IUPAC Name7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one
SMILESCN(c1ccc(F)cc1C(F)(F)F)c1cc(=O)n(C)c2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C21H18ClF4N5O2/c1-29(14-4-3-11(23)7-13(14)21(24,25)26)15-8-18(32)30(2)17-10-31(6-5-12(15)17)16-9-27-28-20(33)19(16)22/h3-4,7-9H,5-6,10H2,1-2H3,(H,28,33)
InChIKeyMTAMVXLVUOGJIU-UHFFFAOYSA-N
XLogP3.61
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.85
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one?
The IUPAC name of 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one (CID 146467183) is 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one.
What is the SMILES notation for 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one?
The canonical SMILES for 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one is CN(c1ccc(F)cc1C(F)(F)F)c1cc(=O)n(C)c2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one?
The InChIKey is MTAMVXLVUOGJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF4N5O2/c1-29(14-4-3-11(23)7-13(14)21(24,25)26)15-8-18(32)30(2)17-10-31(6-5-12(15)17)16-9-27-28-20(33)19(16)22/h3-4,7-9H,5-6,10H2,1-2H3,(H,28,33).
What are the key properties of 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one?
7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one has a molecular weight of 483.85 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-6-oxo-1H-pyridazin-4-yl)-4-[4-fluoro-N-methyl-2-(trifluoromethyl)anilino]-1-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-one is sourced from PubChem (CID 146467183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).