methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

C36H38N4O5 — CID 159547564

IUPACmethyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc2[nH]c(O)c(/C(=N/c3ccc(C(=O)N4CCC5(CC4)C(=O)CCCCN5C)cc3)c3ccccc3)c2cc1C
InChIInChI=1S/C36H38N4O5/c1-23-21-28-29(22-27(23)35(44)45-3)38-33(42)31(28)32(24-9-5-4-6-10-24)37-26-14-12-25(13-15-26)34(43)40-19-16-36(17-20-40)30(41)11-7-8-18-39(36)2/h4-6,9-10,12-15,21-22,38,42H,7-8,11,16-20H2,1-3H3/b37-32+
InChIKeyGNGCENXZTIQSRC-BQNXFWFHSA-N
MW606.72 g/mol
LogP5.80
Rot. Bonds5

About methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate

methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (PubChem CID 159547564) has the molecular formula C36H38N4O5 and a molecular weight of 606.72 g/mol. Its IUPAC name is methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
PubChem CID159547564
Molecular FormulaC36H38N4O5
Molecular Weight606.72 g/mol
Exact Mass606.28
IUPAC Namemethyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc2[nH]c(O)c(/C(=N/c3ccc(C(=O)N4CCC5(CC4)C(=O)CCCCN5C)cc3)c3ccccc3)c2cc1C
InChIInChI=1S/C36H38N4O5/c1-23-21-28-29(22-27(23)35(44)45-3)38-33(42)31(28)32(24-9-5-4-6-10-24)37-26-14-12-25(13-15-26)34(43)40-19-16-36(17-20-40)30(41)11-7-8-18-39(36)2/h4-6,9-10,12-15,21-22,38,42H,7-8,11,16-20H2,1-3H3/b37-32+
InChIKeyGNGCENXZTIQSRC-BQNXFWFHSA-N
XLogP5.80
TPSA115.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.72
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate (CID 159547564) is methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate is COC(=O)c1cc2[nH]c(O)c(/C(=N/c3ccc(C(=O)N4CCC5(CC4)C(=O)CCCCN5C)cc3)c3ccccc3)c2cc1C.
What is the InChIKey of methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
The InChIKey is GNGCENXZTIQSRC-BQNXFWFHSA-N. The full InChI is InChI=1S/C36H38N4O5/c1-23-21-28-29(22-27(23)35(44)45-3)38-33(42)31(28)32(24-9-5-4-6-10-24)37-26-14-12-25(13-15-26)34(43)40-19-16-36(17-20-40)30(41)11-7-8-18-39(36)2/h4-6,9-10,12-15,21-22,38,42H,7-8,11,16-20H2,1-3H3/b37-32+.
What are the key properties of methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate?
methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate has a molecular weight of 606.72 g/mol, XLogP of 5.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-5-methyl-3-[N-[4-(7-methyl-12-oxo-3,7-diazaspiro[5.6]dodecane-3-carbonyl)phenyl]-C-phenylcarbonimidoyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 159547564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).