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

C25H21F8N7O3 — CID 170337109

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

2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one (PubChem CID 170337109) has the molecular formula C25H21F8N7O3 and a molecular weight of 619.47 g/mol. Its IUPAC name is 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one.

Molecular Properties

• Compound Name: 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one
• PubChem CID: 170337109
• Molecular Formula: C25H21F8N7O3
• Molecular Weight: 619.47 g/mol
• Exact Mass: 619.16
• IUPAC Name: 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one
• SMILES: Nc1nc(-c2ccc3c(=O)n(CCCC(COC(F)F)Nc4cn[nH]c(=O)c4C(F)(F)F)ccc3n2)ccc1C(F)(F)F
• InChI: InChI=1S/C25H21F8N7O3/c26-23(27)43-11-12(36-18-10-35-39-21(41)19(18)25(31,32)33)2-1-8-40-9-7-15-13(22(40)42)3-5-16(37-15)17-6-4-14(20(34)38-17)24(28,29)30/h3-7,9-10,12,23H,1-2,8,11H2,(H2,34,38)(H2,36,39,41)
• InChIKey: JTXPVRFLYBQFIE-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 140.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	619.47
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one?

The IUPAC name of 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one (CID 170337109) is 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one.

What is the SMILES notation for 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one?

The canonical SMILES for 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one is Nc1nc(-c2ccc3c(=O)n(CCCC(COC(F)F)Nc4cn[nH]c(=O)c4C(F)(F)F)ccc3n2)ccc1C(F)(F)F.

What is the InChIKey of 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one?

The InChIKey is JTXPVRFLYBQFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F8N7O3/c26-23(27)43-11-12(36-18-10-35-39-21(41)19(18)25(31,32)33)2-1-8-40-9-7-15-13(22(40)42)3-5-16(37-15)17-6-4-14(20(34)38-17)24(28,29)30/h3-7,9-10,12,23H,1-2,8,11H2,(H2,34,38)(H2,36,39,41).

What are the key properties of 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one?

2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one has a molecular weight of 619.47 g/mol, XLogP of 4.66, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)-4-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]amino]pentyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 170337109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).