2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

C151H135Cl3F14N60O16 — CID 158702214

IUPAC2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCn1nnc(-c2ccccc2CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)n1.O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cnnn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cnnn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnn1
InChIInChI=1S/C22H20ClF2N9O2.C22H19ClF2N8O2.C22H20F2N8O3.C22H20F2N8O2.C21H18ClF2N9O2.C21H19F2N9O3.C21H19F2N9O2/c1-33-31-19(30-32-33)15-7-3-2-6-14(15)10-27-18(35)12-34-17(23)11-28-20(21(34)36)29-13-22(24,25)16-8-4-5-9-26-16;23-16-4-5-17(33-14-26-13-31-33)15(9-16)10-29-19(34)11-32-8-7-28-20(21(32)35)30-12-22(24,25)18-3-1-2-6-27-18;23-22(24,18-7-3-4-9-32(18)35)13-28-20-21(34)30(10-8-26-20)12-19(33)27-11-16-5-1-2-6-17(16)31-15-25-14-29-31;23-22(24,18-7-3-4-8-26-18)13-29-20-21(34)31(10-9-27-20)12-19(33)28-11-16-5-1-2-6-17(16)32-15-25-14-30-32;22-15-4-5-16(33-13-29-30-31-33)14(9-15)10-27-18(34)11-32-8-7-26-19(20(32)35)28-12-21(23,24)17-3-1-2-6-25-17;22-21(23,17-7-3-4-9-32(17)35)13-26-19-20(34)30(10-8-24-19)12-18(33)25-11-15-5-1-2-6-16(15)31-14-27-28-29-31;22-21(23,17-7-3-4-8-24-17)13-27-19-20(34)31(10-9-25-19)12-18(33)26-11-15-5-1-2-6-16(15)32-14-28-29-30-32/h2-9,11H,10,12-13H2,1H3,(H,27,35)(H,28,29);1-9,13-14H,10-12H2,(H,28,30)(H,29,34);1-10,14-15H,11-13H2,(H,26,28)(H,27,33);1-10,14-15H,11-13H2,(H,27,29)(H,28,33);1-9,13H,10-12H2,(H,26,28)(H,27,34);1-10,14H,11-13H2,(H,24,26)(H,25,33);1-10,14H,11-13H2,(H,25,27)(H,26,33)
InChIKeyIHRJSWKIKLLUFI-UHFFFAOYSA-N
MW3418.48 g/mol
LogP10.41
Rot. Bonds63

About 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (PubChem CID 158702214) has the molecular formula C151H135Cl3F14N60O16 and a molecular weight of 3418.48 g/mol. Its IUPAC name is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
PubChem CID158702214
Molecular FormulaC151H135Cl3F14N60O16
Molecular Weight3418.48 g/mol
Exact Mass3415.04
IUPAC Name2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
SMILESCn1nnc(-c2ccccc2CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)n1.O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cnnn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cnnn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnn1
InChIInChI=1S/C22H20ClF2N9O2.C22H19ClF2N8O2.C22H20F2N8O3.C22H20F2N8O2.C21H18ClF2N9O2.C21H19F2N9O3.C21H19F2N9O2/c1-33-31-19(30-32-33)15-7-3-2-6-14(15)10-27-18(35)12-34-17(23)11-28-20(21(34)36)29-13-22(24,25)16-8-4-5-9-26-16;23-16-4-5-17(33-14-26-13-31-33)15(9-16)10-29-19(34)11-32-8-7-28-20(21(32)35)30-12-22(24,25)18-3-1-2-6-27-18;23-22(24,18-7-3-4-9-32(18)35)13-28-20-21(34)30(10-8-26-20)12-19(33)27-11-16-5-1-2-6-17(16)31-15-25-14-29-31;23-22(24,18-7-3-4-8-26-18)13-29-20-21(34)31(10-9-27-20)12-19(33)28-11-16-5-1-2-6-17(16)32-15-25-14-30-32;22-15-4-5-16(33-13-29-30-31-33)14(9-15)10-27-18(34)11-32-8-7-26-19(20(32)35)28-12-21(23,24)17-3-1-2-6-25-17;22-21(23,17-7-3-4-9-32(17)35)13-26-19-20(34)30(10-8-24-19)12-18(33)25-11-15-5-1-2-6-16(15)31-14-27-28-29-31;22-21(23,17-7-3-4-8-24-17)13-27-19-20(34)31(10-9-25-19)12-18(33)26-11-15-5-1-2-6-16(15)32-14-28-29-30-32/h2-9,11H,10,12-13H2,1H3,(H,27,35)(H,28,29);1-9,13-14H,10-12H2,(H,28,30)(H,29,34);1-10,14-15H,11-13H2,(H,26,28)(H,27,33);1-10,14-15H,11-13H2,(H,27,29)(H,28,33);1-9,13H,10-12H2,(H,26,28)(H,27,34);1-10,14H,11-13H2,(H,24,26)(H,25,33);1-10,14H,11-13H2,(H,25,27)(H,26,33)
InChIKeyIHRJSWKIKLLUFI-UHFFFAOYSA-N
XLogP10.41
TPSA917.00 Ų
H-Bond Donors14
H-Bond Acceptors67
Rotatable Bonds63
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003418.48
LogP ≤ 510.41
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1067

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide (CID 158702214) is 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is Cn1nnc(-c2ccccc2CNC(=O)Cn2c(Cl)cnc(NCC(F)(F)c3ccccn3)c2=O)n1.O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1-n1cnnn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cc(Cl)ccc1-n1cnnn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cncn1.O=C(Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O)NCc1ccccc1-n1cnnn1.
What is the InChIKey of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is IHRJSWKIKLLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N9O2.C22H19ClF2N8O2.C22H20F2N8O3.C22H20F2N8O2.C21H18ClF2N9O2.C21H19F2N9O3.C21H19F2N9O2/c1-33-31-19(30-32-33)15-7-3-2-6-14(15)10-27-18(35)12-34-17(23)11-28-20(21(34)36)29-13-22(24,25)16-8-4-5-9-26-16;23-16-4-5-17(33-14-26-13-31-33)15(9-16)10-29-19(34)11-32-8-7-28-20(21(32)35)30-12-22(24,25)18-3-1-2-6-27-18;23-22(24,18-7-3-4-9-32(18)35)13-28-20-21(34)30(10-8-26-20)12-19(33)27-11-16-5-1-2-6-17(16)31-15-25-14-29-31;23-22(24,18-7-3-4-8-26-18)13-29-20-21(34)31(10-9-27-20)12-19(33)28-11-16-5-1-2-6-17(16)32-15-25-14-30-32;22-15-4-5-16(33-13-29-30-31-33)14(9-15)10-27-18(34)11-32-8-7-26-19(20(32)35)28-12-21(23,24)17-3-1-2-6-25-17;22-21(23,17-7-3-4-9-32(17)35)13-26-19-20(34)30(10-8-24-19)12-18(33)25-11-15-5-1-2-6-16(15)31-14-27-28-29-31;22-21(23,17-7-3-4-8-24-17)13-27-19-20(34)31(10-9-25-19)12-18(33)26-11-15-5-1-2-6-16(15)32-14-28-29-30-32/h2-9,11H,10,12-13H2,1H3,(H,27,35)(H,28,29);1-9,13-14H,10-12H2,(H,28,30)(H,29,34);1-10,14-15H,11-13H2,(H,26,28)(H,27,33);1-10,14-15H,11-13H2,(H,27,29)(H,28,33);1-9,13H,10-12H2,(H,26,28)(H,27,34);1-10,14H,11-13H2,(H,24,26)(H,25,33);1-10,14H,11-13H2,(H,25,27)(H,26,33).
What are the key properties of 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide?
2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 3418.48 g/mol, XLogP of 10.41, 63 rotatable bonds, 14 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(2-methyltetrazol-5-yl)phenyl]methyl]acetamide;N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;N-[[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]methyl]-2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(tetrazol-1-yl)phenyl]methyl]acetamide;2-[3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-oxopyrazin-1-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 158702214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).