5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

C34H34N4O3 — CID 10209317

IUPAC5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)NCCN2CCCC2)c1-c1ccccc1
InChIInChI=1S/C34H34N4O3/c1-22-31(34(40)35-16-19-38-17-8-9-18-38)32(23-10-4-3-5-11-23)29(36-22)21-27-26-15-14-24(20-28(26)37-33(27)39)25-12-6-7-13-30(25)41-2/h3-7,10-15,20-21,36H,8-9,16-19H2,1-2H3,(H,35,40)(H,37,39)/b27-21-
InChIKeyWQDGIMMHVFSYPD-MEFGMAGPSA-N
MW546.67 g/mol
LogP5.98
Rot. Bonds8

About 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 10209317) has the molecular formula C34H34N4O3 and a molecular weight of 546.67 g/mol. Its IUPAC name is 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
PubChem CID10209317
Molecular FormulaC34H34N4O3
Molecular Weight546.67 g/mol
Exact Mass546.26
IUPAC Name5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)NCCN2CCCC2)c1-c1ccccc1
InChIInChI=1S/C34H34N4O3/c1-22-31(34(40)35-16-19-38-17-8-9-18-38)32(23-10-4-3-5-11-23)29(36-22)21-27-26-15-14-24(20-28(26)37-33(27)39)25-12-6-7-13-30(25)41-2/h3-7,10-15,20-21,36H,8-9,16-19H2,1-2H3,(H,35,40)(H,37,39)/b27-21-
InChIKeyWQDGIMMHVFSYPD-MEFGMAGPSA-N
XLogP5.98
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.67
LogP ≤ 55.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide (CID 10209317) is 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide is COc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c(C)c(C(=O)NCCN2CCCC2)c1-c1ccccc1.
What is the InChIKey of 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is WQDGIMMHVFSYPD-MEFGMAGPSA-N. The full InChI is InChI=1S/C34H34N4O3/c1-22-31(34(40)35-16-19-38-17-8-9-18-38)32(23-10-4-3-5-11-23)29(36-22)21-27-26-15-14-24(20-28(26)37-33(27)39)25-12-6-7-13-30(25)41-2/h3-7,10-15,20-21,36H,8-9,16-19H2,1-2H3,(H,35,40)(H,37,39)/b27-21-.
What are the key properties of 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?
5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 546.67 g/mol, XLogP of 5.98, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-[6-(2-methoxyphenyl)-2-oxo-1H-indol-3-ylidene]methyl]-2-methyl-4-phenyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 10209317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).