4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

C23H27FN6O — CID 138588253

About 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide

4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (PubChem CID 138588253) has the molecular formula C23H27FN6O and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
• PubChem CID: 138588253
• Molecular Formula: C23H27FN6O
• Molecular Weight: 422.51 g/mol
• Exact Mass: 422.22
• IUPAC Name: 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide
• SMILES: Cn1cc(-c2cc3cc(NC(=O)C4CCC(CN5CC(F)C5)CC4)ncc3cn2)cn1
• InChI: InChI=1S/C23H27FN6O/c1-29-12-19(10-27-29)21-6-17-7-22(26-9-18(17)8-25-21)28-23(31)16-4-2-15(3-5-16)11-30-13-20(24)14-30/h6-10,12,15-16,20H,2-5,11,13-14H2,1H3,(H,26,28,31)
• InChIKey: IOFOSLDXPUJUMI-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.51
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?

The IUPAC name of 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide (CID 138588253) is 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is Cn1cc(-c2cc3cc(NC(=O)C4CCC(CN5CC(F)C5)CC4)ncc3cn2)cn1.

What is the InChIKey of 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?

The InChIKey is IOFOSLDXPUJUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O/c1-29-12-19(10-27-29)21-6-17-7-22(26-9-18(17)8-25-21)28-23(31)16-4-2-15(3-5-16)11-30-13-20(24)14-30/h6-10,12,15-16,20H,2-5,11,13-14H2,1H3,(H,26,28,31).

What are the key properties of 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide?

4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-fluoroazetidin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 138588253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).