(3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C25H28ClF2N7O2 — CID 91973962

About (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

(3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 91973962) has the molecular formula C25H28ClF2N7O2 and a molecular weight of 532.00 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 91973962
• Molecular Formula: C25H28ClF2N7O2
• Molecular Weight: 532.00 g/mol
• Exact Mass: 531.20
• IUPAC Name: (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
• SMILES: Cc1noc(C2(Cc3ccc(F)c(NC4CC(C)NN4)n3)CCN(C(=O)c3cccc(Cl)c3F)CC2)n1
• InChI: InChI=1S/C25H28ClF2N7O2/c1-14-12-20(33-32-14)31-22-19(27)7-6-16(30-22)13-25(24-29-15(2)34-37-24)8-10-35(11-9-25)23(36)17-4-3-5-18(26)21(17)28/h3-7,14,20,32-33H,8-13H2,1-2H3,(H,30,31)
• InChIKey: QRUOORKPLBVKLG-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 108.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.00
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 91973962) is (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2(Cc3ccc(F)c(NC4CC(C)NN4)n3)CCN(C(=O)c3cccc(Cl)c3F)CC2)n1.

What is the InChIKey of (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is QRUOORKPLBVKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF2N7O2/c1-14-12-20(33-32-14)31-22-19(27)7-6-16(30-22)13-25(24-29-15(2)34-37-24)8-10-35(11-9-25)23(36)17-4-3-5-18(26)21(17)28/h3-7,14,20,32-33H,8-13H2,1-2H3,(H,30,31).

What are the key properties of (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?

(3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 532.00 g/mol, XLogP of 3.75, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-chloro-2-fluorophenyl)-[4-[[5-fluoro-6-[(5-methylpyrazolidin-3-yl)amino]-2-pyridinyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91973962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).