2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide

C195H235F5N28O16S — CID 157432220

IUPAC2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide
SMILESCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)nn2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)c(-c3ccccc3)c2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)nn2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(F)C4)cc3)nn2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccsc3)c(-c3ccc(C4(N)CC(F)C4)cc3)nn2)CC1.CCC(=O)N(CC)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)cc3)cn2)CC1
InChIInChI=1S/C35H44N4O3.C33H40FN5O3.C33H39FN4O3.C32H38FN5O3.C32H38FN5O2.C30H36FN5O2S/c1-4-33(41)39(5-2)28-17-11-24(12-18-28)19-32(40)38-31-20-29(25-9-7-6-8-10-25)30(21-37-31)26-13-15-27(16-14-26)35(36)22-34(3,42)23-35;1-4-30(41)39(3)24-13-10-21(11-14-24)16-29(40)36-28-18-25(22-8-6-5-7-9-22)31(38-37-28)23-12-15-26(27(34)17-23)33(35)19-32(2,42)20-33;1-21(39)38(3)26-12-9-22(10-13-26)15-30(40)37-25-17-27(23-7-5-4-6-8-23)31(36-18-25)24-11-14-28(29(34)16-24)33(35)19-32(2,41)20-33;1-20(39)38(3)24-12-9-21(10-13-24)15-29(40)35-28-17-25(22-7-5-4-6-8-22)30(37-36-28)23-11-14-26(27(33)16-23)32(34)18-31(2,41)19-32;1-3-30(40)38(2)26-15-9-21(10-16-26)17-29(39)35-28-18-27(22-7-5-4-6-8-22)31(37-36-28)23-11-13-24(14-12-23)32(34)19-25(33)20-32;1-3-28(38)36(2)24-10-4-19(5-11-24)14-27(37)33-26-15-25(21-12-13-39-18-21)29(35-34-26)20-6-8-22(9-7-20)30(32)16-23(31)17-30/h6-10,13-16,20-21,24,28,42H,4-5,11-12,17-19,22-23,36H2,1-3H3,(H,37,38,40);5-9,12,15,17-18,21,24,42H,4,10-11,13-14,16,19-20,35H2,1-3H3,(H,36,37,40);4-8,11,14,16-18,22,26,41H,9-10,12-13,15,19-20,35H2,1-3H3,(H,37,40);4-8,11,14,16-17,21,24,41H,9-10,12-13,15,18-19,34H2,1-3H3,(H,35,36,40);4-8,11-14,18,21,25-26H,3,9-10,15-17,19-20,34H2,1-2H3,(H,35,36,39);6-9,12-13,15,18-19,23-24H,3-5,10-11,14,16-17,32H2,1-2H3,(H,33,34,37)
InChIKeyBQRGHNPWAFKLOV-UHFFFAOYSA-N
MW3354.26 g/mol
LogP34.06
Rot. Bonds47

About 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide

2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide (PubChem CID 157432220) has the molecular formula C195H235F5N28O16S and a molecular weight of 3354.26 g/mol. Its IUPAC name is 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide
PubChem CID157432220
Molecular FormulaC195H235F5N28O16S
Molecular Weight3354.26 g/mol
Exact Mass3351.81
IUPAC Name2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide
SMILESCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)nn2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)c(-c3ccccc3)c2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)nn2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(F)C4)cc3)nn2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccsc3)c(-c3ccc(C4(N)CC(F)C4)cc3)nn2)CC1.CCC(=O)N(CC)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)cc3)cn2)CC1
InChIInChI=1S/C35H44N4O3.C33H40FN5O3.C33H39FN4O3.C32H38FN5O3.C32H38FN5O2.C30H36FN5O2S/c1-4-33(41)39(5-2)28-17-11-24(12-18-28)19-32(40)38-31-20-29(25-9-7-6-8-10-25)30(21-37-31)26-13-15-27(16-14-26)35(36)22-34(3,42)23-35;1-4-30(41)39(3)24-13-10-21(11-14-24)16-29(40)36-28-18-25(22-8-6-5-7-9-22)31(38-37-28)23-12-15-26(27(34)17-23)33(35)19-32(2,42)20-33;1-21(39)38(3)26-12-9-22(10-13-26)15-30(40)37-25-17-27(23-7-5-4-6-8-23)31(36-18-25)24-11-14-28(29(34)16-24)33(35)19-32(2,41)20-33;1-20(39)38(3)24-12-9-21(10-13-24)15-29(40)35-28-17-25(22-7-5-4-6-8-22)30(37-36-28)23-11-14-26(27(33)16-23)32(34)18-31(2,41)19-32;1-3-30(40)38(2)26-15-9-21(10-16-26)17-29(39)35-28-18-27(22-7-5-4-6-8-22)31(37-36-28)23-11-13-24(14-12-23)32(34)19-25(33)20-32;1-3-28(38)36(2)24-10-4-19(5-11-24)14-27(37)33-26-15-25(21-12-13-39-18-21)29(35-34-26)20-6-8-22(9-7-20)30(32)16-23(31)17-30/h6-10,13-16,20-21,24,28,42H,4-5,11-12,17-19,22-23,36H2,1-3H3,(H,37,38,40);5-9,12,15,17-18,21,24,42H,4,10-11,13-14,16,19-20,35H2,1-3H3,(H,36,37,40);4-8,11,14,16-18,22,26,41H,9-10,12-13,15,19-20,35H2,1-3H3,(H,37,40);4-8,11,14,16-17,21,24,41H,9-10,12-13,15,18-19,34H2,1-3H3,(H,35,36,40);4-8,11-14,18,21,25-26H,3,9-10,15-17,19-20,34H2,1-2H3,(H,35,36,39);6-9,12-13,15,18-19,23-24H,3-5,10-11,14,16-17,32H2,1-2H3,(H,33,34,37)
InChIKeyBQRGHNPWAFKLOV-UHFFFAOYSA-N
XLogP34.06
TPSA662.40 Ų
H-Bond Donors16
H-Bond Acceptors33
Rotatable Bonds47
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003354.26
LogP ≤ 534.06
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1033

Analyze 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide?
The IUPAC name of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide (CID 157432220) is 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide?
The canonical SMILES for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide is CC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)nn2)CC1.CC(=O)N(C)C1CCC(CC(=O)Nc2cnc(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)c(-c3ccccc3)c2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)c(F)c3)nn2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(F)C4)cc3)nn2)CC1.CCC(=O)N(C)C1CCC(CC(=O)Nc2cc(-c3ccsc3)c(-c3ccc(C4(N)CC(F)C4)cc3)nn2)CC1.CCC(=O)N(CC)C1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC(C)(O)C4)cc3)cn2)CC1.
What is the InChIKey of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide?
The InChIKey is BQRGHNPWAFKLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N4O3.C33H40FN5O3.C33H39FN4O3.C32H38FN5O3.C32H38FN5O2.C30H36FN5O2S/c1-4-33(41)39(5-2)28-17-11-24(12-18-28)19-32(40)38-31-20-29(25-9-7-6-8-10-25)30(21-37-31)26-13-15-27(16-14-26)35(36)22-34(3,42)23-35;1-4-30(41)39(3)24-13-10-21(11-14-24)16-29(40)36-28-18-25(22-8-6-5-7-9-22)31(38-37-28)23-12-15-26(27(34)17-23)33(35)19-32(2,42)20-33;1-21(39)38(3)26-12-9-22(10-13-26)15-30(40)37-25-17-27(23-7-5-4-6-8-23)31(36-18-25)24-11-14-28(29(34)16-24)33(35)19-32(2,41)20-33;1-20(39)38(3)24-12-9-21(10-13-24)15-29(40)35-28-17-25(22-7-5-4-6-8-22)30(37-36-28)23-11-14-26(27(33)16-23)32(34)18-31(2,41)19-32;1-3-30(40)38(2)26-15-9-21(10-16-26)17-29(39)35-28-18-27(22-7-5-4-6-8-22)31(37-36-28)23-11-13-24(14-12-23)32(34)19-25(33)20-32;1-3-28(38)36(2)24-10-4-19(5-11-24)14-27(37)33-26-15-25(21-12-13-39-18-21)29(35-34-26)20-6-8-22(9-7-20)30(32)16-23(31)17-30/h6-10,13-16,20-21,24,28,42H,4-5,11-12,17-19,22-23,36H2,1-3H3,(H,37,38,40);5-9,12,15,17-18,21,24,42H,4,10-11,13-14,16,19-20,35H2,1-3H3,(H,36,37,40);4-8,11,14,16-18,22,26,41H,9-10,12-13,15,19-20,35H2,1-3H3,(H,37,40);4-8,11,14,16-17,21,24,41H,9-10,12-13,15,18-19,34H2,1-3H3,(H,35,36,40);4-8,11-14,18,21,25-26H,3,9-10,15-17,19-20,34H2,1-2H3,(H,35,36,39);6-9,12-13,15,18-19,23-24H,3-5,10-11,14,16-17,32H2,1-2H3,(H,33,34,37).
What are the key properties of 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide?
2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide has a molecular weight of 3354.26 g/mol, XLogP of 34.06, 47 rotatable bonds, 16 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]acetamide;2-[4-[acetyl(methyl)amino]cyclohexyl]-N-[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenyl-3-pyridinyl]acetamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-fluorocyclobutyl)phenyl]-5-thiophen-3-ylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[6-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)-3-fluorophenyl]-5-phenylpyridazin-3-yl]amino]-2-oxoethyl]cyclohexyl]-N-methylpropanamide;N-[4-[2-[[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-N-ethylpropanamide is sourced from PubChem (CID 157432220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).