6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

C27H26F3N5O — CID 66887485

About 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one

6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 66887485) has the molecular formula C27H26F3N5O and a molecular weight of 493.53 g/mol. Its IUPAC name is 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
• PubChem CID: 66887485
• Molecular Formula: C27H26F3N5O
• Molecular Weight: 493.53 g/mol
• Exact Mass: 493.21
• IUPAC Name: 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
• SMILES: Cc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CC(F)(F)F)CC4)cc3)n2)n1
• InChI: InChI=1S/C27H26F3N5O/c1-17-3-2-4-22(32-17)23-15-20-9-12-31-26(36)24(20)25(34-23)33-21-7-5-18(6-8-21)19-10-13-35(14-11-19)16-27(28,29)30/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,31,36)(H,33,34)
• InChIKey: SRTZPFYQSGSDMV-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.53
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one (CID 66887485) is 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is Cc1cccc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CC(F)(F)F)CC4)cc3)n2)n1.

What is the InChIKey of 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

The InChIKey is SRTZPFYQSGSDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O/c1-17-3-2-4-22(32-17)23-15-20-9-12-31-26(36)24(20)25(34-23)33-21-7-5-18(6-8-21)19-10-13-35(14-11-19)16-27(28,29)30/h2-9,12,15,19H,10-11,13-14,16H2,1H3,(H,31,36)(H,33,34).

What are the key properties of 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one?

6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 493.53 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-methyl-2-pyridinyl)-8-[4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66887485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).