methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

C34H38N6O6 — CID 137209201

IUPACmethyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
SMILESCNC(=O)CN1CCN(CCONC(=O)c2ccc(/N=C(\c3ccccc3)c3c(O)[nH]c4cc(C(=O)OC)c(C)cc34)cc2)CC1
InChIInChI=1S/C34H38N6O6/c1-22-19-27-28(20-26(22)34(44)45-3)37-33(43)30(27)31(23-7-5-4-6-8-23)36-25-11-9-24(10-12-25)32(42)38-46-18-17-39-13-15-40(16-14-39)21-29(41)35-2/h4-12,19-20,37,43H,13-18,21H2,1-3H3,(H,35,41)(H,38,42)/b36-31+
InChIKeyHDFIESXNNYXTPI-XKMRCYARSA-N
MW626.71 g/mol
LogP3.16
Rot. Bonds11

About methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (PubChem CID 137209201) has the molecular formula C34H38N6O6 and a molecular weight of 626.71 g/mol. Its IUPAC name is methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
PubChem CID137209201
Molecular FormulaC34H38N6O6
Molecular Weight626.71 g/mol
Exact Mass626.29
IUPAC Namemethyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
SMILESCNC(=O)CN1CCN(CCONC(=O)c2ccc(/N=C(\c3ccccc3)c3c(O)[nH]c4cc(C(=O)OC)c(C)cc34)cc2)CC1
InChIInChI=1S/C34H38N6O6/c1-22-19-27-28(20-26(22)34(44)45-3)37-33(43)30(27)31(23-7-5-4-6-8-23)36-25-11-9-24(10-12-25)32(42)38-46-18-17-39-13-15-40(16-14-39)21-29(41)35-2/h4-12,19-20,37,43H,13-18,21H2,1-3H3,(H,35,41)(H,38,42)/b36-31+
InChIKeyHDFIESXNNYXTPI-XKMRCYARSA-N
XLogP3.16
TPSA148.59 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.71
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate 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 methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (CID 137209201) is methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate is CNC(=O)CN1CCN(CCONC(=O)c2ccc(/N=C(\c3ccccc3)c3c(O)[nH]c4cc(C(=O)OC)c(C)cc34)cc2)CC1.
What is the InChIKey of methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The InChIKey is HDFIESXNNYXTPI-XKMRCYARSA-N. The full InChI is InChI=1S/C34H38N6O6/c1-22-19-27-28(20-26(22)34(44)45-3)37-33(43)30(27)31(23-7-5-4-6-8-23)36-25-11-9-24(10-12-25)32(42)38-46-18-17-39-13-15-40(16-14-39)21-29(41)35-2/h4-12,19-20,37,43H,13-18,21H2,1-3H3,(H,35,41)(H,38,42)/b36-31+.
What are the key properties of methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate has a molecular weight of 626.71 g/mol, XLogP of 3.16, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-methyl-3-[N-[4-[2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]ethoxycarbamoyl]phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 137209201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).