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

C24H20F6N6O2 — CID 169119090

IUPAC6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one
SMILESC[C@@H](CCCn1ccc2nc(-c3ccc(C(F)(F)F)cn3)ccc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C24H20F6N6O2/c1-13(33-19-12-32-35-21(37)20(19)24(28,29)30)3-2-9-36-10-8-16-15(22(36)38)5-7-18(34-16)17-6-4-14(11-31-17)23(25,26)27/h4-8,10-13H,2-3,9H2,1H3,(H2,33,35,37)/t13-/m0/s1
InChIKeyKANBFWXBVSBJAA-ZDUSSCGKSA-N
MW538.45 g/mol
LogP4.86
Rot. Bonds7

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

6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one (PubChem CID 169119090) has the molecular formula C24H20F6N6O2 and a molecular weight of 538.45 g/mol. Its IUPAC name is 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one
PubChem CID169119090
Molecular FormulaC24H20F6N6O2
Molecular Weight538.45 g/mol
Exact Mass538.16
IUPAC Name6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one
SMILESC[C@@H](CCCn1ccc2nc(-c3ccc(C(F)(F)F)cn3)ccc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C24H20F6N6O2/c1-13(33-19-12-32-35-21(37)20(19)24(28,29)30)3-2-9-36-10-8-16-15(22(36)38)5-7-18(34-16)17-6-4-14(11-31-17)23(25,26)27/h4-8,10-13H,2-3,9H2,1H3,(H2,33,35,37)/t13-/m0/s1
InChIKeyKANBFWXBVSBJAA-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 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one?
The IUPAC name of 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one (CID 169119090) is 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one?
The canonical SMILES for 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one is C[C@@H](CCCn1ccc2nc(-c3ccc(C(F)(F)F)cn3)ccc2c1=O)Nc1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one?
The InChIKey is KANBFWXBVSBJAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H20F6N6O2/c1-13(33-19-12-32-35-21(37)20(19)24(28,29)30)3-2-9-36-10-8-16-15(22(36)38)5-7-18(34-16)17-6-4-14(11-31-17)23(25,26)27/h4-8,10-13H,2-3,9H2,1H3,(H2,33,35,37)/t13-/m0/s1.
What are the key properties of 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one?
6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-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 6-[(4S)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 169119090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).