1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium

C110H163ClN15O13PdSi3- — CID 159857777

IUPAC1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium
SMILESC.CC(C)(C)[Si](C)(C)Cl.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(N)cc2C(=O)N2Cc3ccccc3C[C@H]2CO[Si](C)(C)C(C)(C)C)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C(=O)N2Cc3ccccc3C[C@H]2CO[Si](C)(C)C(C)(C)C)n1.[CH3-].[Pd]
InChIInChI=1S/C36H51N5O5Si.C36H53N5O3Si.C30H37N5O5.C6H15ClSi.CH4.CH3.Pd/c1-9-11-19-38(20-12-10-2)35(43)32-21-26(3)40(37-32)33-18-17-29(41(44)45)23-31(33)34(42)39-24-28-16-14-13-15-27(28)22-30(39)25-46-47(7,8)36(4,5)6;1-9-11-19-39(20-12-10-2)35(43)32-21-26(3)41(38-32)33-18-17-29(37)23-31(33)34(42)40-24-28-16-14-13-15-27(28)22-30(40)25-44-45(7,8)36(4,5)6;1-4-6-14-32(15-7-5-2)30(38)27-16-21(3)34(31-27)28-13-12-24(35(39)40)18-26(28)29(37)33-19-23-11-9-8-10-22(23)17-25(33)20-36;1-6(2,3)8(4,5)7;;;/h13-18,21,23,30H,9-12,19-20,22,24-25H2,1-8H3;13-18,21,23,30H,9-12,19-20,22,24-25,37H2,1-8H3;8-13,16,18,25,36H,4-7,14-15,17,19-20H2,1-3H3;1-5H3;1H4;1H3;/q;;;;;-1;/t2*30-;25-;;;;/m000..../s1
InChIKeyKSWOUKPPLPMKPJ-AZDVVQAOSA-N
MW2129.74 g/mol
LogP24.12
Rot. Bonds36

About 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium

1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium (PubChem CID 159857777) has the molecular formula C110H163ClN15O13PdSi3- and a molecular weight of 2129.74 g/mol. Its IUPAC name is 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium.

Molecular Properties

Compound Name1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium
PubChem CID159857777
Molecular FormulaC110H163ClN15O13PdSi3-
Molecular Weight2129.74 g/mol
Exact Mass2127.06
IUPAC Name1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium
SMILESC.CC(C)(C)[Si](C)(C)Cl.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(N)cc2C(=O)N2Cc3ccccc3C[C@H]2CO[Si](C)(C)C(C)(C)C)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C(=O)N2Cc3ccccc3C[C@H]2CO[Si](C)(C)C(C)(C)C)n1.[CH3-].[Pd]
InChIInChI=1S/C36H51N5O5Si.C36H53N5O3Si.C30H37N5O5.C6H15ClSi.CH4.CH3.Pd/c1-9-11-19-38(20-12-10-2)35(43)32-21-26(3)40(37-32)33-18-17-29(41(44)45)23-31(33)34(42)39-24-28-16-14-13-15-27(28)22-30(39)25-46-47(7,8)36(4,5)6;1-9-11-19-39(20-12-10-2)35(43)32-21-26(3)41(38-32)33-18-17-29(37)23-31(33)34(42)40-24-28-16-14-13-15-27(28)22-30(40)25-44-45(7,8)36(4,5)6;1-4-6-14-32(15-7-5-2)30(38)27-16-21(3)34(31-27)28-13-12-24(35(39)40)18-26(28)29(37)33-19-23-11-9-8-10-22(23)17-25(33)20-36;1-6(2,3)8(4,5)7;;;/h13-18,21,23,30H,9-12,19-20,22,24-25H2,1-8H3;13-18,21,23,30H,9-12,19-20,22,24-25,37H2,1-8H3;8-13,16,18,25,36H,4-7,14-15,17,19-20H2,1-3H3;1-5H3;1H4;1H3;/q;;;;;-1;/t2*30-;25-;;;;/m000..../s1
InChIKeyKSWOUKPPLPMKPJ-AZDVVQAOSA-N
XLogP24.12
TPSA326.31 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002129.74
LogP ≤ 524.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium with MolForge

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Related Compounds

1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium
CID 157064183
N,N-dibutyl-1-[4-(3-cyano-4-fluorophenyl)-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 71611635
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(4-methoxy-3-methylphenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 71611361
tert-butyl 4-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]piperazine-1-carboxylate
CID 131972001
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[(4-methylphenyl)carbamoylamino]phenyl]-5-methylpyrazole-3-carboxamide
CID 71617600
N,N-dibutyl-1-[4-(4-chlorophenyl)-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-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 158033874
N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-(4-methoxynaphthalen-1-yl)phenyl]-5-methylpyrazole-3-carboxamide
CID 71612556
N,N-dibutyl-1-[2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-[[hydroxy-(2-phenoxyanilino)methyl]amino]phenyl]-5-methylpyrazole-3-carboxamide
CID 123223022
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;hydrate
CID 159459646
1-[4-[(4-acetamido-3-chlorophenyl)silylamino]-2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide
CID 137330936
N,N-dibutyl-1-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 123578393
N,N-dibutyl-1-[4-[[2-(4-chloro-3-methoxyphenyl)acetyl]amino]-2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 71612343

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium?
The IUPAC name of 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium (CID 159857777) is 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium.
What is the SMILES notation for 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium?
The canonical SMILES for 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium is C.CC(C)(C)[Si](C)(C)Cl.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(N)cc2C(=O)N2Cc3ccccc3C[C@H]2CO[Si](C)(C)C(C)(C)C)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C(=O)N2Cc3ccccc3C[C@H]2CO)n1.CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc([N+](=O)[O-])cc2C(=O)N2Cc3ccccc3C[C@H]2CO[Si](C)(C)C(C)(C)C)n1.[CH3-].[Pd].
What is the InChIKey of 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium?
The InChIKey is KSWOUKPPLPMKPJ-AZDVVQAOSA-N. The full InChI is InChI=1S/C36H51N5O5Si.C36H53N5O3Si.C30H37N5O5.C6H15ClSi.CH4.CH3.Pd/c1-9-11-19-38(20-12-10-2)35(43)32-21-26(3)40(37-32)33-18-17-29(41(44)45)23-31(33)34(42)39-24-28-16-14-13-15-27(28)22-30(39)25-46-47(7,8)36(4,5)6;1-9-11-19-39(20-12-10-2)35(43)32-21-26(3)41(38-32)33-18-17-29(37)23-31(33)34(42)40-24-28-16-14-13-15-27(28)22-30(40)25-44-45(7,8)36(4,5)6;1-4-6-14-32(15-7-5-2)30(38)27-16-21(3)34(31-27)28-13-12-24(35(39)40)18-26(28)29(37)33-19-23-11-9-8-10-22(23)17-25(33)20-36;1-6(2,3)8(4,5)7;;;/h13-18,21,23,30H,9-12,19-20,22,24-25H2,1-8H3;13-18,21,23,30H,9-12,19-20,22,24-25,37H2,1-8H3;8-13,16,18,25,36H,4-7,14-15,17,19-20H2,1-3H3;1-5H3;1H4;1H3;/q;;;;;-1;/t2*30-;25-;;;;/m000..../s1.
What are the key properties of 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium?
1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium has a molecular weight of 2129.74 g/mol, XLogP of 24.12, 36 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N,N-dibutyl-5-methylpyrazole-3-carboxamide;tert-butyl-chloro-dimethylsilane;carbanide;N,N-dibutyl-1-[2-[(3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;N,N-dibutyl-1-[2-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-4-nitrophenyl]-5-methylpyrazole-3-carboxamide;methane;palladium is sourced from PubChem (CID 159857777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).