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

C23H28Cl2N10O2 — CID 58186832

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

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 58186832) has the molecular formula C23H28Cl2N10O2 and a molecular weight of 547.45 g/mol. Its IUPAC name is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
• PubChem CID: 58186832
• Molecular Formula: C23H28Cl2N10O2
• Molecular Weight: 547.45 g/mol
• Exact Mass: 546.18
• IUPAC Name: (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone
• SMILES: CC[C@H]1CN(c2ncc(-c3nnc(N)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)nc2N)CC1
• InChI: InChI=1S/C23H28Cl2N10O2/c1-2-13-12-34(20-18(25)29-16(11-28-20)21-31-32-23(27)37-21)9-10-35(13)14-5-7-33(8-6-14)22(36)15-3-4-17(24)30-19(15)26/h3-4,11,13-14H,2,5-10,12H2,1H3,(H2,26,30)(H2,27,32)/t13-/m0/s1
• InChIKey: QTZQZGQZYUDPBI-ZDUSSCGKSA-N
• XLogP: 2.60
• TPSA: 156.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.45
LogP ≤ 5	2.60
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-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone (CID 58186832) is (2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone.

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

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

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

The InChIKey is QTZQZGQZYUDPBI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H28Cl2N10O2/c1-2-13-12-34(20-18(25)29-16(11-28-20)21-31-32-23(27)37-21)9-10-35(13)14-5-7-33(8-6-14)22(36)15-3-4-17(24)30-19(15)26/h3-4,11,13-14H,2,5-10,12H2,1H3,(H2,26,30)(H2,27,32)/t13-/m0/s1.

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

(2-amino-6-chloro-3-pyridinyl)-[4-[(2S)-4-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 547.45 g/mol, XLogP of 2.60, 5 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-[5-(5-amino-1,3,4-oxadiazol-2-yl)-3-chloropyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 58186832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).