(2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone

C25H32ClN9O2 — CID 73173019

About (2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone

(2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 73173019) has the molecular formula C25H32ClN9O2 and a molecular weight of 526.05 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 73173019
• Molecular Formula: C25H32ClN9O2
• Molecular Weight: 526.05 g/mol
• Exact Mass: 525.24
• IUPAC Name: (2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CCC1CN(c2ncc(-c3nnc(C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
• InChI: InChI=1S/C25H32ClN9O2/c1-4-17-14-34(23-15(2)29-20(13-28-23)24-32-31-16(3)37-24)11-12-35(17)18-7-9-33(10-8-18)25(36)19-5-6-21(26)30-22(19)27/h5-6,13,17-18H,4,7-12,14H2,1-3H3,(H2,27,30)
• InChIKey: RJMBXIBQXMKXHG-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 130.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.05
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone (CID 73173019) is (2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is CCC1CN(c2ncc(-c3nnc(C)o3)nc2C)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.

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

The InChIKey is RJMBXIBQXMKXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN9O2/c1-4-17-14-34(23-15(2)29-20(13-28-23)24-32-31-16(3)37-24)11-12-35(17)18-7-9-33(10-8-18)25(36)19-5-6-21(26)30-22(19)27/h5-6,13,17-18H,4,7-12,14H2,1-3H3,(H2,27,30).

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

(2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 526.05 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-6-chloro-3-pyridinyl)-[4-[2-ethyl-4-[3-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 73173019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).