3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile

C24H31FN8 — CID 146645979

About 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile

3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile (PubChem CID 146645979) has the molecular formula C24H31FN8 and a molecular weight of 450.57 g/mol. Its IUPAC name is 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
• PubChem CID: 146645979
• Molecular Formula: C24H31FN8
• Molecular Weight: 450.57 g/mol
• Exact Mass: 450.27
• IUPAC Name: 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile
• SMILES: CCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncc(F)cc23)CC(CC)N1CCC#N
• InChI: InChI=1S/C24H31FN8/c1-4-18-11-17(12-19(5-2)33(18)8-6-7-26)28-24-20-10-16(25)14-27-21(20)13-22(30-24)29-23-9-15(3)31-32-23/h9-10,13-14,17-19H,4-6,8,11-12H2,1-3H3,(H3,28,29,30,31,32)
• InChIKey: OOUGNBBDESDQNJ-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 105.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.57
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?

The IUPAC name of 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile (CID 146645979) is 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile.

What is the SMILES notation for 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?

The canonical SMILES for 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile is CCC1CC(Nc2nc(Nc3cc(C)[nH]n3)cc3ncc(F)cc23)CC(CC)N1CCC#N.

What is the InChIKey of 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?

The InChIKey is OOUGNBBDESDQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN8/c1-4-18-11-17(12-19(5-2)33(18)8-6-7-26)28-24-20-10-16(25)14-27-21(20)13-22(30-24)29-23-9-15(3)31-32-23/h9-10,13-14,17-19H,4-6,8,11-12H2,1-3H3,(H3,28,29,30,31,32).

What are the key properties of 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile?

3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile has a molecular weight of 450.57 g/mol, XLogP of 4.89, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-diethyl-4-[[3-fluoro-7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]propanenitrile is sourced from PubChem (CID 146645979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).