N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

C74H86Cl2N14O5Si — CID 165049577

About N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide

N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (PubChem CID 165049577) has the molecular formula C74H86Cl2N14O5Si and a molecular weight of 1350.59 g/mol. Its IUPAC name is N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
• PubChem CID: 165049577
• Molecular Formula: C74H86Cl2N14O5Si
• Molecular Weight: 1350.59 g/mol
• Exact Mass: 1348.61
• IUPAC Name: N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide
• SMILES: Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@H](Cc2cc(-c3cccc(CN(C)C)c3)ccc2Cl)NC(=O)c2ccnn2C)cc1.Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)[C@H](Cc2cc(-c3cccc(CN(C)C)c3)ccc2Cl)NC(=O)c2ccnn2C)cc1
• InChI: InChI=1S/C40H50ClN7O3Si.C34H36ClN7O2/c1-27-38(28(2)48(45-27)26-51-20-21-52(6,7)8)30-12-15-34(16-13-30)43-39(49)36(44-40(50)37-18-19-42-47(37)5)24-33-23-32(14-17-35(33)41)31-11-9-10-29(22-31)25-46(3)4;1-21-32(22(2)40-39-21)24-9-12-28(13-10-24)37-33(43)30(38-34(44)31-15-16-36-42(31)5)19-27-18-26(11-14-29(27)35)25-8-6-7-23(17-25)20-41(3)4/h9-19,22-23,36H,20-21,24-26H2,1-8H3,(H,43,49)(H,44,50);6-18,30H,19-20H2,1-5H3,(H,37,43)(H,38,44)(H,39,40)/t36-;30-/m00/s1
• InChIKey: PLHIUWMTNONDIA-ZLNCZGCSSA-N
• XLogP: 13.36
• TPSA: 214.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 25
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.59
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?

The IUPAC name of N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide (CID 165049577) is N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide.

What is the SMILES notation for N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?

The canonical SMILES for N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)[C@H](Cc2cc(-c3cccc(CN(C)C)c3)ccc2Cl)NC(=O)c2ccnn2C)cc1.Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)[C@H](Cc2cc(-c3cccc(CN(C)C)c3)ccc2Cl)NC(=O)c2ccnn2C)cc1.

What is the InChIKey of N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?

The InChIKey is PLHIUWMTNONDIA-ZLNCZGCSSA-N. The full InChI is InChI=1S/C40H50ClN7O3Si.C34H36ClN7O2/c1-27-38(28(2)48(45-27)26-51-20-21-52(6,7)8)30-12-15-34(16-13-30)43-39(49)36(44-40(50)37-18-19-42-47(37)5)24-33-23-32(14-17-35(33)41)31-11-9-10-29(22-31)25-46(3)4;1-21-32(22(2)40-39-21)24-9-12-28(13-10-24)37-33(43)30(38-34(44)31-15-16-36-42(31)5)19-27-18-26(11-14-29(27)35)25-8-6-7-23(17-25)20-41(3)4/h9-19,22-23,36H,20-21,24-26H2,1-8H3,(H,43,49)(H,44,50);6-18,30H,19-20H2,1-5H3,(H,37,43)(H,38,44)(H,39,40)/t36-;30-/m00/s1.

What are the key properties of N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide?

N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide has a molecular weight of 1350.59 g/mol, XLogP of 13.36, 25 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide;N-[(2S)-3-[2-chloro-5-[3-[(dimethylamino)methyl]phenyl]phenyl]-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 165049577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).