5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

C25H32Cl2N8O — CID 11997761

About 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine

5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (PubChem CID 11997761) has the molecular formula C25H32Cl2N8O and a molecular weight of 531.49 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• PubChem CID: 11997761
• Molecular Formula: C25H32Cl2N8O
• Molecular Weight: 531.49 g/mol
• Exact Mass: 530.21
• IUPAC Name: 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine
• SMILES: CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C25H32Cl2N8O/c1-3-19-15-34(24-22(27)29-21(23(28)30-24)25-32-31-16(2)36-25)12-13-35(19)20-8-10-33(11-9-20)14-17-4-6-18(26)7-5-17/h4-7,19-20H,3,8-15H2,1-2H3,(H2,28,30)/t19-/m0/s1
• InChIKey: TZQOPZGWEWCZJX-IBGZPJMESA-N
• XLogP: 4.29
• TPSA: 100.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.49
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The IUPAC name of 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine (CID 11997761) is 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine.

What is the SMILES notation for 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The canonical SMILES for 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.

What is the InChIKey of 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

The InChIKey is TZQOPZGWEWCZJX-IBGZPJMESA-N. The full InChI is InChI=1S/C25H32Cl2N8O/c1-3-19-15-34(24-22(27)29-21(23(28)30-24)25-32-31-16(2)36-25)12-13-35(19)20-8-10-33(11-9-20)14-17-4-6-18(26)7-5-17/h4-7,19-20H,3,8-15H2,1-2H3,(H2,28,30)/t19-/m0/s1.

What are the key properties of 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine?

5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine has a molecular weight of 531.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 11997761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).