ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate

C24H25N3O2 — CID 157037620

IUPACethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C24H25N3O2/c1-3-29-24(28)18-10-13-22-20(14-18)21-15-26(2)25-23(21)27(22)19-11-8-17(9-12-19)16-6-4-5-7-16/h8-16H,3-7H2,1-2H3
InChIKeyMDNFELAODTXHBM-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.35
Rot. Bonds4

About ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate

ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate (PubChem CID 157037620) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
PubChem CID157037620
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Nameethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C2CCCC2)cc1
InChIInChI=1S/C24H25N3O2/c1-3-29-24(28)18-10-13-22-20(14-18)21-15-26(2)25-23(21)27(22)19-11-8-17(9-12-19)16-6-4-5-7-16/h8-16H,3-7H2,1-2H3
InChIKeyMDNFELAODTXHBM-UHFFFAOYSA-N
XLogP5.35
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(4-chlorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
CID 157037273
ethyl 4-(4-fluorophenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate
CID 157037645
3-(methylsulfonimidoyl)propyl 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037088
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
sodium 2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylate
CID 157037365
2-methyl-4-[4-(3,3,3-trifluoro-1-hydroxypropyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037380
ethyl 4-pyrrolidin-3-ylbenzoate
CID 116988515
N-[(3-ethyl-5-methyltriazol-4-yl)methyl]-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
CID 166838263
ethyl 3-iodo-1-(oxan-2-yl)indazole-5-carboxylate
CID 165127694
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
2-methyl-4-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxylic acid
CID 157037917
ethyl 5-[4-(trifluoromethyl)phenyl]pyrido[4,3-b]indole-8-carboxylate
CID 162680864

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate?
The IUPAC name of ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate (CID 157037620) is ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate.
What is the SMILES notation for ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate?
The canonical SMILES for ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate is CCOC(=O)c1ccc2c(c1)c1cn(C)nc1n2-c1ccc(C2CCCC2)cc1.
What is the InChIKey of ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate?
The InChIKey is MDNFELAODTXHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-29-24(28)18-10-13-22-20(14-18)21-15-26(2)25-23(21)27(22)19-11-8-17(9-12-19)16-6-4-5-7-16/h8-16H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate?
ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 5.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyclopentylphenyl)-2-methylpyrazolo[3,4-b]indole-7-carboxylate is sourced from PubChem (CID 157037620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).