methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

C26H23N5O4 — CID 108753799

IUPACmethyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CC(C(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)CC1=O
InChIInChI=1S/C26H23N5O4/c1-16-21-13-18(14-27-24(21)31(29-16)19-8-4-3-5-9-19)28-25(33)17-12-23(32)30(15-17)22-11-7-6-10-20(22)26(34)35-2/h3-11,13-14,17H,12,15H2,1-2H3,(H,28,33)
InChIKeyLUHLXLHGRVGWLY-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.51
Rot. Bonds5

About methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate

methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (PubChem CID 108753799) has the molecular formula C26H23N5O4 and a molecular weight of 469.50 g/mol. Its IUPAC name is methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
PubChem CID108753799
Molecular FormulaC26H23N5O4
Molecular Weight469.50 g/mol
Exact Mass469.18
IUPAC Namemethyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
SMILESCOC(=O)c1ccccc1N1CC(C(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)CC1=O
InChIInChI=1S/C26H23N5O4/c1-16-21-13-18(14-27-24(21)31(29-16)19-8-4-3-5-9-19)28-25(33)17-12-23(32)30(15-17)22-11-7-6-10-20(22)26(34)35-2/h3-11,13-14,17H,12,15H2,1-2H3,(H,28,33)
InChIKeyLUHLXLHGRVGWLY-UHFFFAOYSA-N
XLogP3.51
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108730127
methyl 2-[4-[(3,5-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189187
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51334513
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863
methyl 2-[4-[(4-acetamidophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189225
methyl 2-[4-[(4-methoxycarbonylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189228
methyl 2-[4-[(3,4-difluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189242
methyl 2-[4-[[4-[(6-methylpyrimidin-4-yl)amino]phenyl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108756628
methyl 2-[4-[[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108767041
methyl 2-[4-[(4-tert-butylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189200
(3S)-1-(2-methoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 735284
methyl 2-[4-[[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108768483

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The IUPAC name of methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate (CID 108753799) is methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The canonical SMILES for methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is COC(=O)c1ccccc1N1CC(C(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)CC1=O.
What is the InChIKey of methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
The InChIKey is LUHLXLHGRVGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O4/c1-16-21-13-18(14-27-24(21)31(29-16)19-8-4-3-5-9-19)28-25(33)17-12-23(32)30(15-17)22-11-7-6-10-20(22)26(34)35-2/h3-11,13-14,17H,12,15H2,1-2H3,(H,28,33).
What are the key properties of methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate?
methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate has a molecular weight of 469.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 108753799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).