(1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone

C25H25F3N6OS — CID 24735157

About (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 24735157) has the molecular formula C25H25F3N6OS and a molecular weight of 514.58 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone
• PubChem CID: 24735157
• Molecular Formula: C25H25F3N6OS
• Molecular Weight: 514.58 g/mol
• Exact Mass: 514.18
• IUPAC Name: (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone
• SMILES: Cc1cc(C(=O)N2CCC(CNc3ncc(-c4ccsc4)c4nc(C(F)(F)F)ccc34)CC2)nn1C
• InChI: InChI=1S/C25H25F3N6OS/c1-15-11-20(32-33(15)2)24(35)34-8-5-16(6-9-34)12-29-23-18-3-4-21(25(26,27)28)31-22(18)19(13-30-23)17-7-10-36-14-17/h3-4,7,10-11,13-14,16H,5-6,8-9,12H2,1-2H3,(H,29,30)
• InChIKey: DWKVSRXSJINDFD-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.58
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone?

The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone (CID 24735157) is (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone.

What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone?

The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(CNc3ncc(-c4ccsc4)c4nc(C(F)(F)F)ccc34)CC2)nn1C.

What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone?

The InChIKey is DWKVSRXSJINDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6OS/c1-15-11-20(32-33(15)2)24(35)34-8-5-16(6-9-34)12-29-23-18-3-4-21(25(26,27)28)31-22(18)19(13-30-23)17-7-10-36-14-17/h3-4,7,10-11,13-14,16H,5-6,8-9,12H2,1-2H3,(H,29,30).

What are the key properties of (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone?

(1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 514.58 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1,5-dimethylpyrazol-3-yl)-[4-[[[8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 24735157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).