5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide

C23H24FN7O2S — CID 118278853

About 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide

5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 118278853) has the molecular formula C23H24FN7O2S and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
• PubChem CID: 118278853
• Molecular Formula: C23H24FN7O2S
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.17
• IUPAC Name: 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Nc2ccc(C#N)cn2)c1C(=O)Nc1ccc(OC2CCN(CCF)CC2)nc1
• InChI: InChI=1S/C23H24FN7O2S/c1-15-21(23(34-30-15)29-19-4-2-16(12-25)13-26-19)22(32)28-17-3-5-20(27-14-17)33-18-6-9-31(10-7-18)11-8-24/h2-5,13-14,18H,6-11H2,1H3,(H,26,29)(H,28,32)
• InChIKey: WDKSJOXTOLENCU-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 116.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?

The IUPAC name of 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide (CID 118278853) is 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide.

What is the SMILES notation for 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?

The canonical SMILES for 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2ccc(C#N)cn2)c1C(=O)Nc1ccc(OC2CCN(CCF)CC2)nc1.

What is the InChIKey of 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?

The InChIKey is WDKSJOXTOLENCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2S/c1-15-21(23(34-30-15)29-19-4-2-16(12-25)13-26-19)22(32)28-17-3-5-20(27-14-17)33-18-6-9-31(10-7-18)11-8-24/h2-5,13-14,18H,6-11H2,1H3,(H,26,29)(H,28,32).

What are the key properties of 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide?

5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-cyano-2-pyridinyl)amino]-N-[6-[1-(2-fluoroethyl)piperidin-4-yl]oxy-3-pyridinyl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118278853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).