4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide

C25H24F2N6O2 — CID 138587038

About 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide

4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide (PubChem CID 138587038) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
• PubChem CID: 138587038
• Molecular Formula: C25H24F2N6O2
• Molecular Weight: 478.50 g/mol
• Exact Mass: 478.19
• IUPAC Name: 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide
• SMILES: CN1CCC(n2cc(-c3cc4cc(NC(=O)c5ccc(OC(F)F)cc5)ncc4cn3)cn2)CC1
• InChI: InChI=1S/C25H24F2N6O2/c1-32-8-6-20(7-9-32)33-15-19(14-30-33)22-10-17-11-23(29-13-18(17)12-28-22)31-24(34)16-2-4-21(5-3-16)35-25(26)27/h2-5,10-15,20,25H,6-9H2,1H3,(H,29,31,34)
• InChIKey: OVNVTKZBRASDOL-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.50
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide?

The IUPAC name of 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide (CID 138587038) is 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide.

What is the SMILES notation for 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide?

The canonical SMILES for 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide is CN1CCC(n2cc(-c3cc4cc(NC(=O)c5ccc(OC(F)F)cc5)ncc4cn3)cn2)CC1.

What is the InChIKey of 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide?

The InChIKey is OVNVTKZBRASDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-32-8-6-20(7-9-32)33-15-19(14-30-33)22-10-17-11-23(29-13-18(17)12-28-22)31-24(34)16-2-4-21(5-3-16)35-25(26)27/h2-5,10-15,20,25H,6-9H2,1H3,(H,29,31,34).

What are the key properties of 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide?

4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide has a molecular weight of 478.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethoxy)-N-[6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2,7-naphthyridin-3-yl]benzamide is sourced from PubChem (CID 138587038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).