2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide

C26H34Cl2N10O2 — CID 11671540

IUPAC2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide
SMILESCC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2/C(N)=N\O)CC1
InChIInChI=1S/C26H34Cl2N10O2/c1-3-18-14-37(25-22(28)31-21(24(30)32-25)26-34-33-15(2)40-26)10-11-38(18)19-6-8-36(9-7-19)13-16-4-5-17(27)12-20(16)23(29)35-39/h4-5,12,18-19,39H,3,6-11,13-14H2,1-2H3,(H2,29,35)(H2,30,32)/t18-/m0/s1
InChIKeyUZLKGKWIHLJFNV-SFHVURJKSA-N
MW589.53 g/mol
LogP3.38
Rot. Bonds7

About 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide

2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 11671540) has the molecular formula C26H34Cl2N10O2 and a molecular weight of 589.53 g/mol. Its IUPAC name is 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID11671540
Molecular FormulaC26H34Cl2N10O2
Molecular Weight589.53 g/mol
Exact Mass588.22
IUPAC Name2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide
SMILESCC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2/C(N)=N\O)CC1
InChIInChI=1S/C26H34Cl2N10O2/c1-3-18-14-37(25-22(28)31-21(24(30)32-25)26-34-33-15(2)40-26)10-11-38(18)19-6-8-36(9-7-19)13-16-4-5-17(27)12-20(16)23(29)35-39/h4-5,12,18-19,39H,3,6-11,13-14H2,1-2H3,(H2,29,35)(H2,30,32)/t18-/m0/s1
InChIKeyUZLKGKWIHLJFNV-SFHVURJKSA-N
XLogP3.38
TPSA159.05 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.53
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide (CID 11671540) is 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide is CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2/C(N)=N\O)CC1.
What is the InChIKey of 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is UZLKGKWIHLJFNV-SFHVURJKSA-N. The full InChI is InChI=1S/C26H34Cl2N10O2/c1-3-18-14-37(25-22(28)31-21(24(30)32-25)26-34-33-15(2)40-26)10-11-38(18)19-6-8-36(9-7-19)13-16-4-5-17(27)12-20(16)23(29)35-39/h4-5,12,18-19,39H,3,6-11,13-14H2,1-2H3,(H2,29,35)(H2,30,32)/t18-/m0/s1.
What are the key properties of 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide?
2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 589.53 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2S)-4-[6-amino-3-chloro-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 11671540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).