ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate

C23H21N3O3 — CID 90782203

IUPACethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(C=c2c(=O)[nH][nH]c2=CCc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H21N3O3/c1-2-29-23(28)21-16-10-6-7-11-18(16)24-20(21)14-17-19(25-26-22(17)27)13-12-15-8-4-3-5-9-15/h3-11,13-14,24-25H,2,12H2,1H3,(H,26,27)
InChIKeyBGMUBIKYOQUXBK-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate

ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate (PubChem CID 90782203) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate
PubChem CID90782203
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Nameethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate
SMILESCCOC(=O)c1c(C=c2c(=O)[nH][nH]c2=CCc2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H21N3O3/c1-2-29-23(28)21-16-10-6-7-11-18(16)24-20(21)14-17-19(25-26-22(17)27)13-12-15-8-4-3-5-9-15/h3-11,13-14,24-25H,2,12H2,1H3,(H,26,27)
InChIKeyBGMUBIKYOQUXBK-UHFFFAOYSA-N
XLogP2.21
TPSA90.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate with MolForge

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Related Compounds

methyl 2-acetamido-3-[2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indol-3-yl]propanoate
CID 91234119
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
ethyl 2-oxo-4-piperidin-1-yl-1H-quinoline-3-carboxylate
CID 913206
ethyl 2-acetyl-1H-indole-3-carboxylate
CID 71162213
ethyl 4-morpholin-4-yl-2-oxo-1H-quinoline-3-carboxylate
CID 779668
ethyl 3-oxo-5-(2-phenylethyl)-1,2-dihydropyrazole-4-carboxylate
CID 11129045
ethyl 4-(iodomethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 89329733
ethyl 2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 15722478
ethyl 3-methyl-1-oxo-2H-isoquinoline-4-carboxylate
CID 12677994
ethyl 4-(dimethoxymethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 21474001
ethyl 2-(dimethylaminomethylideneamino)-1H-indole-3-carboxylate
CID 23818790
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate?
The IUPAC name of ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate (CID 90782203) is ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate.
What is the SMILES notation for ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate?
The canonical SMILES for ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate is CCOC(=O)c1c(C=c2c(=O)[nH][nH]c2=CCc2ccccc2)[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate?
The InChIKey is BGMUBIKYOQUXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-29-23(28)21-16-10-6-7-11-18(16)24-20(21)14-17-19(25-26-22(17)27)13-12-15-8-4-3-5-9-15/h3-11,13-14,24-25H,2,12H2,1H3,(H,26,27).
What are the key properties of ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate?
ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-oxo-5-(2-phenylethylidene)pyrazolidin-4-ylidene]methyl]-1H-indole-3-carboxylate is sourced from PubChem (CID 90782203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).