5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C29H34FN7O2 — CID 58561606

About 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 58561606) has the molecular formula C29H34FN7O2 and a molecular weight of 531.64 g/mol. Its IUPAC name is 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
• PubChem CID: 58561606
• Molecular Formula: C29H34FN7O2
• Molecular Weight: 531.64 g/mol
• Exact Mass: 531.28
• IUPAC Name: 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
• SMILES: Cc1cc(-c2nc(-c3ccc(C4(F)CCOCC4)cc3)no2)nn1Cc1ccc(NCCN2CCCC2)nc1
• InChI: InChI=1S/C29H34FN7O2/c1-21-18-25(34-37(21)20-22-4-9-26(32-19-22)31-12-15-36-13-2-3-14-36)28-33-27(35-39-28)23-5-7-24(8-6-23)29(30)10-16-38-17-11-29/h4-9,18-19H,2-3,10-17,20H2,1H3,(H,31,32)
• InChIKey: VDMXESLRBXEACF-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 94.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.64
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?

The IUPAC name of 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 58561606) is 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

What is the SMILES notation for 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?

The canonical SMILES for 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is Cc1cc(-c2nc(-c3ccc(C4(F)CCOCC4)cc3)no2)nn1Cc1ccc(NCCN2CCCC2)nc1.

What is the InChIKey of 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?

The InChIKey is VDMXESLRBXEACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O2/c1-21-18-25(34-37(21)20-22-4-9-26(32-19-22)31-12-15-36-13-2-3-14-36)28-33-27(35-39-28)23-5-7-24(8-6-23)29(30)10-16-38-17-11-29/h4-9,18-19H,2-3,10-17,20H2,1H3,(H,31,32).

What are the key properties of 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?

5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 531.64 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[3-[4-(4-fluorooxan-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-5-methylpyrazol-1-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 58561606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).