(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone

C26H34Cl2N10O2 — CID 149406382

About (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 149406382) has the molecular formula C26H34Cl2N10O2 and a molecular weight of 589.53 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 149406382
• Molecular Formula: C26H34Cl2N10O2
• Molecular Weight: 589.53 g/mol
• Exact Mass: 588.22
• IUPAC Name: (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CCC[C@H]1CN(c2ncc(-c3nnc(NCC)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
• InChI: InChI=1S/C26H34Cl2N10O2/c1-3-5-17-15-37(23-21(28)32-19(14-31-23)24-34-35-26(40-24)30-4-2)12-13-38(17)16-8-10-36(11-9-16)25(39)18-6-7-20(27)33-22(18)29/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H2,29,33)(H,30,35)/t17-/m0/s1
• InChIKey: YQJKXSJAPHRTNA-KRWDZBQOSA-N
• XLogP: 3.84
• TPSA: 142.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.53
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone (CID 149406382) is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone.

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

The canonical SMILES for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone is CCC[C@H]1CN(c2ncc(-c3nnc(NCC)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1.

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

The InChIKey is YQJKXSJAPHRTNA-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H34Cl2N10O2/c1-3-5-17-15-37(23-21(28)32-19(14-31-23)24-34-35-26(40-24)30-4-2)12-13-38(17)16-8-10-36(11-9-16)25(39)18-6-7-20(27)33-22(18)29/h6-7,14,16-17H,3-5,8-13,15H2,1-2H3,(H2,29,33)(H,30,35)/t17-/m0/s1.

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

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 589.53 g/mol, XLogP of 3.84, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[3-chloro-5-[5-(ethylamino)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-propylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 149406382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).