5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide

C27H30Cl2F3N9O3 — CID 76718719

IUPAC5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCC1CN(c2nc(N)c(-c3nnc(C(=O)NCC(F)(F)F)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H30Cl2F3N9O3/c1-2-17-13-40(11-12-41(17)18-7-9-39(10-8-18)26(43)15-3-5-16(28)6-4-15)22-20(29)35-19(21(33)36-22)24-37-38-25(44-24)23(42)34-14-27(30,31)32/h3-6,17-18H,2,7-14H2,1H3,(H2,33,36)(H,34,42)
InChIKeyASQUNWCXLGNFDG-UHFFFAOYSA-N
MW656.50 g/mol
LogP3.91
Rot. Bonds7

About 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide

5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 76718719) has the molecular formula C27H30Cl2F3N9O3 and a molecular weight of 656.50 g/mol. Its IUPAC name is 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID76718719
Molecular FormulaC27H30Cl2F3N9O3
Molecular Weight656.50 g/mol
Exact Mass655.18
IUPAC Name5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCCC1CN(c2nc(N)c(-c3nnc(C(=O)NCC(F)(F)F)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H30Cl2F3N9O3/c1-2-17-13-40(11-12-41(17)18-7-9-39(10-8-18)26(43)15-3-5-16(28)6-4-15)22-20(29)35-19(21(33)36-22)24-37-38-25(44-24)23(42)34-14-27(30,31)32/h3-6,17-18H,2,7-14H2,1H3,(H2,33,36)(H,34,42)
InChIKeyASQUNWCXLGNFDG-UHFFFAOYSA-N
XLogP3.91
TPSA146.61 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500656.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide (CID 76718719) is 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide is CCC1CN(c2nc(N)c(-c3nnc(C(=O)NCC(F)(F)F)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is ASQUNWCXLGNFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2F3N9O3/c1-2-17-13-40(11-12-41(17)18-7-9-39(10-8-18)26(43)15-3-5-16(28)6-4-15)22-20(29)35-19(21(33)36-22)24-37-38-25(44-24)23(42)34-14-27(30,31)32/h3-6,17-18H,2,7-14H2,1H3,(H2,33,36)(H,34,42).
What are the key properties of 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide?
5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 656.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-amino-6-chloro-5-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 76718719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).