6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide

C226H288N36O16 — CID 158966480

IUPAC6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide
SMILESCCCC(Nc1cncc(-c2ccc(CNC(=O)C3CCC(=O)N3)cc2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(CNC(=O)C3CCCNC3)cc2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN(CC)CC)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCCCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCOCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCN3CCN(C)CC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCn3ccnc3)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C30H40N4O2.C29H39N5O2.C29H38N4O3.C29H38N4O2.C29H40N4O2.C27H31N5O2.C27H33N5O.C26H29N5O2/c1-3-12-26(24-13-6-4-7-14-24)32-30-23-31-22-27(33-30)25-15-16-28(29(21-25)35-2)36-20-11-10-19-34-17-8-5-9-18-34;1-4-9-25(23-10-6-5-7-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)35-3)36-19-8-14-34-17-15-33(2)16-18-34;1-3-9-25(23-10-5-4-6-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)34-2)36-17-8-7-14-33-15-18-35-19-16-33;1-3-11-25(23-12-5-4-6-13-23)31-29-22-30-21-26(32-29)24-14-15-27(28(20-24)34-2)35-19-10-9-18-33-16-7-8-17-33;1-5-13-25(23-14-9-8-10-15-23)31-29-22-30-21-26(32-29)24-16-17-27(28(20-24)34-4)35-19-12-11-18-33(6-2)7-3;1-3-8-23(21-9-5-4-6-10-21)30-27-19-29-18-24(31-27)22-11-12-25(26(17-22)33-2)34-16-7-14-32-15-13-28-20-32;1-2-7-24(21-8-4-3-5-9-21)31-26-19-29-18-25(32-26)22-13-11-20(12-14-22)16-30-27(33)23-10-6-15-28-17-23;1-2-6-21(19-7-4-3-5-8-19)29-24-17-27-16-23(30-24)20-11-9-18(10-12-20)15-28-26(33)22-13-14-25(32)31-22/h4,6-7,13-16,21-23,26H,3,5,8-12,17-20H2,1-2H3,(H,32,33);5-7,10-13,20-22,25H,4,8-9,14-19H2,1-3H3,(H,31,32);4-6,10-13,20-22,25H,3,7-9,14-19H2,1-2H3,(H,31,32);4-6,12-15,20-22,25H,3,7-11,16-19H2,1-2H3,(H,31,32);8-10,14-17,20-22,25H,5-7,11-13,18-19H2,1-4H3,(H,31,32);4-6,9-13,15,17-20,23H,3,7-8,14,16H2,1-2H3,(H,30,31);3-5,8-9,11-14,18-19,23-24,28H,2,6-7,10,15-17H2,1H3,(H,30,33)(H,31,32);3-5,7-12,16-17,21-22H,2,6,13-15H2,1H3,(H,28,33)(H,29,30)(H,31,32)
InChIKeyJNGOZVLPIRFQOE-UHFFFAOYSA-N
MW3765.03 g/mol
LogP44.91
Rot. Bonds96

About 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide

6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 158966480) has the molecular formula C226H288N36O16 and a molecular weight of 3765.03 g/mol. Its IUPAC name is 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID158966480
Molecular FormulaC226H288N36O16
Molecular Weight3765.03 g/mol
Exact Mass3762.28
IUPAC Name6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide
SMILESCCCC(Nc1cncc(-c2ccc(CNC(=O)C3CCC(=O)N3)cc2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(CNC(=O)C3CCCNC3)cc2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN(CC)CC)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCCCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCOCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCN3CCN(C)CC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCn3ccnc3)c(OC)c2)n1)c1ccccc1
InChIInChI=1S/C30H40N4O2.C29H39N5O2.C29H38N4O3.C29H38N4O2.C29H40N4O2.C27H31N5O2.C27H33N5O.C26H29N5O2/c1-3-12-26(24-13-6-4-7-14-24)32-30-23-31-22-27(33-30)25-15-16-28(29(21-25)35-2)36-20-11-10-19-34-17-8-5-9-18-34;1-4-9-25(23-10-6-5-7-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)35-3)36-19-8-14-34-17-15-33(2)16-18-34;1-3-9-25(23-10-5-4-6-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)34-2)36-17-8-7-14-33-15-18-35-19-16-33;1-3-11-25(23-12-5-4-6-13-23)31-29-22-30-21-26(32-29)24-14-15-27(28(20-24)34-2)35-19-10-9-18-33-16-7-8-17-33;1-5-13-25(23-14-9-8-10-15-23)31-29-22-30-21-26(32-29)24-16-17-27(28(20-24)34-4)35-19-12-11-18-33(6-2)7-3;1-3-8-23(21-9-5-4-6-10-21)30-27-19-29-18-24(31-27)22-11-12-25(26(17-22)33-2)34-16-7-14-32-15-13-28-20-32;1-2-7-24(21-8-4-3-5-9-21)31-26-19-29-18-25(32-26)22-13-11-20(12-14-22)16-30-27(33)23-10-6-15-28-17-23;1-2-6-21(19-7-4-3-5-8-19)29-24-17-27-16-23(30-24)20-11-9-18(10-12-20)15-28-26(33)22-13-14-25(32)31-22/h4,6-7,13-16,21-23,26H,3,5,8-12,17-20H2,1-2H3,(H,32,33);5-7,10-13,20-22,25H,4,8-9,14-19H2,1-3H3,(H,31,32);4-6,10-13,20-22,25H,3,7-9,14-19H2,1-2H3,(H,31,32);4-6,12-15,20-22,25H,3,7-11,16-19H2,1-2H3,(H,31,32);8-10,14-17,20-22,25H,5-7,11-13,18-19H2,1-4H3,(H,31,32);4-6,9-13,15,17-20,23H,3,7-8,14,16H2,1-2H3,(H,30,31);3-5,8-9,11-14,18-19,23-24,28H,2,6-7,10,15-17H2,1H3,(H,30,33)(H,31,32);3-5,7-12,16-17,21-22H,2,6,13-15H2,1H3,(H,28,33)(H,29,30)(H,31,32)
InChIKeyJNGOZVLPIRFQOE-UHFFFAOYSA-N
XLogP44.91
TPSA559.06 Ų
H-Bond Donors12
H-Bond Acceptors49
Rotatable Bonds96
Heavy Atoms278
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003765.03
LogP ≤ 544.91
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-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 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide (CID 158966480) is 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide is CCCC(Nc1cncc(-c2ccc(CNC(=O)C3CCC(=O)N3)cc2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(CNC(=O)C3CCCNC3)cc2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN(CC)CC)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCCCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCCN3CCOCC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCN3CCN(C)CC3)c(OC)c2)n1)c1ccccc1.CCCC(Nc1cncc(-c2ccc(OCCCn3ccnc3)c(OC)c2)n1)c1ccccc1.
What is the InChIKey of 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is JNGOZVLPIRFQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O2.C29H39N5O2.C29H38N4O3.C29H38N4O2.C29H40N4O2.C27H31N5O2.C27H33N5O.C26H29N5O2/c1-3-12-26(24-13-6-4-7-14-24)32-30-23-31-22-27(33-30)25-15-16-28(29(21-25)35-2)36-20-11-10-19-34-17-8-5-9-18-34;1-4-9-25(23-10-6-5-7-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)35-3)36-19-8-14-34-17-15-33(2)16-18-34;1-3-9-25(23-10-5-4-6-11-23)31-29-22-30-21-26(32-29)24-12-13-27(28(20-24)34-2)36-17-8-7-14-33-15-18-35-19-16-33;1-3-11-25(23-12-5-4-6-13-23)31-29-22-30-21-26(32-29)24-14-15-27(28(20-24)34-2)35-19-10-9-18-33-16-7-8-17-33;1-5-13-25(23-14-9-8-10-15-23)31-29-22-30-21-26(32-29)24-16-17-27(28(20-24)34-4)35-19-12-11-18-33(6-2)7-3;1-3-8-23(21-9-5-4-6-10-21)30-27-19-29-18-24(31-27)22-11-12-25(26(17-22)33-2)34-16-7-14-32-15-13-28-20-32;1-2-7-24(21-8-4-3-5-9-21)31-26-19-29-18-25(32-26)22-13-11-20(12-14-22)16-30-27(33)23-10-6-15-28-17-23;1-2-6-21(19-7-4-3-5-8-19)29-24-17-27-16-23(30-24)20-11-9-18(10-12-20)15-28-26(33)22-13-14-25(32)31-22/h4,6-7,13-16,21-23,26H,3,5,8-12,17-20H2,1-2H3,(H,32,33);5-7,10-13,20-22,25H,4,8-9,14-19H2,1-3H3,(H,31,32);4-6,10-13,20-22,25H,3,7-9,14-19H2,1-2H3,(H,31,32);4-6,12-15,20-22,25H,3,7-11,16-19H2,1-2H3,(H,31,32);8-10,14-17,20-22,25H,5-7,11-13,18-19H2,1-4H3,(H,31,32);4-6,9-13,15,17-20,23H,3,7-8,14,16H2,1-2H3,(H,30,31);3-5,8-9,11-14,18-19,23-24,28H,2,6-7,10,15-17H2,1H3,(H,30,33)(H,31,32);3-5,7-12,16-17,21-22H,2,6,13-15H2,1H3,(H,28,33)(H,29,30)(H,31,32).
What are the key properties of 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide?
6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 3765.03 g/mol, XLogP of 44.91, 96 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(diethylamino)butoxy]-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[4-(3-imidazol-1-ylpropoxy)-3-methoxyphenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-morpholin-4-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;6-[3-methoxy-4-(4-pyrrolidin-1-ylbutoxy)phenyl]-N-(1-phenylbutyl)pyrazin-2-amine;5-oxo-N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;N-[[4-[6-(1-phenylbutylamino)pyrazin-2-yl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 158966480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).