N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane

C119H151FN16O17S — CID 161440835

IUPACN,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane
SMILESC.C.C.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3cc(F)ccc3OC)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3cccc(OC)c3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3OC)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C39H46FN5O5.C39H47N5O5.C38H46N6O7S.3CH4/c1-5-7-17-43(18-8-6-2)39(49)34-19-26(3)45(42-34)35-15-14-31(41-37(47)22-29-20-30(40)13-16-36(29)50-4)23-33(35)38(48)44-24-28-12-10-9-11-27(28)21-32(44)25-46;1-5-7-18-42(19-8-6-2)39(48)35-20-27(3)44(41-35)36-17-16-31(40-37(46)22-28-12-11-15-33(21-28)49-4)24-34(36)38(47)43-25-30-14-10-9-13-29(30)23-32(43)26-45;1-5-7-17-42(18-8-6-2)38(48)33-19-25(3)44(41-33)34-15-13-28(40-36(46)32-22-30(52(39,49)50)14-16-35(32)51-4)21-31(34)37(47)43-23-27-12-10-9-11-26(27)20-29(43)24-45;;;/h9-16,19-20,23,32,46H,5-8,17-18,21-22,24-25H2,1-4H3,(H,41,47);9-17,20-21,24,32,45H,5-8,18-19,22-23,25-26H2,1-4H3,(H,40,46);9-16,19,21-22,29,45H,5-8,17-18,20,23-24H2,1-4H3,(H,40,46)(H2,39,49,50);3*1H4/t2*32-;29-;;;/m000.../s1
InChIKeyVZGDBLISFIKYAA-MVHXKGSCSA-N
MW2128.68 g/mol
LogP18.68
Rot. Bonds42

About N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane

N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane (PubChem CID 161440835) has the molecular formula C119H151FN16O17S and a molecular weight of 2128.68 g/mol. Its IUPAC name is N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane.

Molecular Properties

Compound NameN,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane
PubChem CID161440835
Molecular FormulaC119H151FN16O17S
Molecular Weight2128.68 g/mol
Exact Mass2127.11
IUPAC NameN,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane
SMILESC.C.C.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3cc(F)ccc3OC)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3cccc(OC)c3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3OC)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1
InChIInChI=1S/C39H46FN5O5.C39H47N5O5.C38H46N6O7S.3CH4/c1-5-7-17-43(18-8-6-2)39(49)34-19-26(3)45(42-34)35-15-14-31(41-37(47)22-29-20-30(40)13-16-36(29)50-4)23-33(35)38(48)44-24-28-12-10-9-11-27(28)21-32(44)25-46;1-5-7-18-42(19-8-6-2)39(48)35-20-27(3)44(41-35)36-17-16-31(40-37(46)22-28-12-11-15-33(21-28)49-4)24-34(36)38(47)43-25-30-14-10-9-13-29(30)23-32(43)26-45;1-5-7-17-42(18-8-6-2)38(48)33-19-25(3)44(41-33)34-15-13-28(40-36(46)32-22-30(52(39,49)50)14-16-35(32)51-4)21-31(34)37(47)43-23-27-12-10-9-11-26(27)20-29(43)24-45;;;/h9-16,19-20,23,32,46H,5-8,17-18,21-22,24-25H2,1-4H3,(H,41,47);9-17,20-21,24,32,45H,5-8,18-19,22-23,25-26H2,1-4H3,(H,40,46);9-16,19,21-22,29,45H,5-8,17-18,20,23-24H2,1-4H3,(H,40,46)(H2,39,49,50);3*1H4/t2*32-;29-;;;/m000.../s1
InChIKeyVZGDBLISFIKYAA-MVHXKGSCSA-N
XLogP18.68
TPSA411.16 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds42
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002128.68
LogP ≤ 518.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Analyze N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane with MolForge

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Related Compounds

N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[4-(2-methylphenoxy)phenyl]sulfinylamino]phenyl]-5-methylpyrazole-3-carboxamide
CID 117957618
N,N-dibutyl-1-[4-[[4-(4-fluorophenoxy)phenyl]sulfinylamino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 117957636
N,N-dibutyl-1-[4-[(3-fluoro-4-methoxyphenyl)sulfinylamino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 117957645
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(phenoxymethyl)benzoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 157322512
N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(phenoxymethyl)benzoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 159443383
N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(4-methoxy-3-methylphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 161203880
N,N-dibutyl-1-[4-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 71626305
N,N-dibutyl-1-[4-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 71626578
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 71611681
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-methoxy-5-[(R)-methylsulfinyl]benzoyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 89660282
1-[4-[(5-aminosulfanyl-2-methoxybenzoyl)amino]-2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 123941980
1-[4-[(5-aminosulfanyl-2-methoxybenzoyl)amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 145599890

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane?
The IUPAC name of N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane (CID 161440835) is N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane.
What is the SMILES notation for N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane?
The canonical SMILES for N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane is C.C.C.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3cc(F)ccc3OC)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)Cc3cccc(OC)c3)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cc(S(N)(=O)=O)ccc3OC)cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.
What is the InChIKey of N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane?
The InChIKey is VZGDBLISFIKYAA-MVHXKGSCSA-N. The full InChI is InChI=1S/C39H46FN5O5.C39H47N5O5.C38H46N6O7S.3CH4/c1-5-7-17-43(18-8-6-2)39(49)34-19-26(3)45(42-34)35-15-14-31(41-37(47)22-29-20-30(40)13-16-36(29)50-4)23-33(35)38(48)44-24-28-12-10-9-11-27(28)21-32(44)25-46;1-5-7-18-42(19-8-6-2)39(48)35-20-27(3)44(41-35)36-17-16-31(40-37(46)22-28-12-11-15-33(21-28)49-4)24-34(36)38(47)43-25-30-14-10-9-13-29(30)23-32(43)26-45;1-5-7-17-42(18-8-6-2)38(48)33-19-25(3)44(41-33)34-15-13-28(40-36(46)32-22-30(52(39,49)50)14-16-35(32)51-4)21-31(34)37(47)43-23-27-12-10-9-11-26(27)20-29(43)24-45;;;/h9-16,19-20,23,32,46H,5-8,17-18,21-22,24-25H2,1-4H3,(H,41,47);9-17,20-21,24,32,45H,5-8,18-19,22-23,25-26H2,1-4H3,(H,40,46);9-16,19,21-22,29,45H,5-8,17-18,20,23-24H2,1-4H3,(H,40,46)(H2,39,49,50);3*1H4/t2*32-;29-;;;/m000.../s1.
What are the key properties of N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane?
N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane has a molecular weight of 2128.68 g/mol, XLogP of 18.68, 42 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-[4-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(2-methoxy-5-sulfamoylbenzoyl)amino]phenyl]-5-methylpyrazole-3-carboxamide;methane is sourced from PubChem (CID 161440835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).