ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate

C26H27N5O6 — CID 46306856

IUPACethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c1C(N)=O
InChIInChI=1S/C26H27N5O6/c1-6-36-26(35)20-16(5)37-24(21(20)22(27)33)28-23(34)15(4)30-18(32)12-13(2)19-14(3)29-31(25(19)30)17-10-8-7-9-11-17/h7-12,15H,6H2,1-5H3,(H2,27,33)(H,28,34)
InChIKeyCDQLLZBNOKIDCB-UHFFFAOYSA-N
MW505.53 g/mol
LogP3.18
Rot. Bonds7

About ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate

ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate (PubChem CID 46306856) has the molecular formula C26H27N5O6 and a molecular weight of 505.53 g/mol. Its IUPAC name is ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
PubChem CID46306856
Molecular FormulaC26H27N5O6
Molecular Weight505.53 g/mol
Exact Mass505.20
IUPAC Nameethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C(C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c1C(N)=O
InChIInChI=1S/C26H27N5O6/c1-6-36-26(35)20-16(5)37-24(21(20)22(27)33)28-23(34)15(4)30-18(32)12-13(2)19-14(3)29-31(25(19)30)17-10-8-7-9-11-17/h7-12,15H,6H2,1-5H3,(H2,27,33)(H,28,34)
InChIKeyCDQLLZBNOKIDCB-UHFFFAOYSA-N
XLogP3.18
TPSA151.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-carbamoyl-5-[3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate
CID 39774439
diethyl 2-methyl-5-[2-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]furan-3,4-dicarboxylate
CID 46301139
ethyl 2-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxylate
CID 46306826
N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306813
N-[(4-chlorophenyl)methyl]-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 20944267
N-(1,3-benzothiazol-2-yl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanamide
CID 46306630
N-(4-acetamidophenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306702
N-(4-butylphenyl)-2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanamide
CID 46306667
ethyl 2-[2-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)butanoylamino]-1,3-thiazol-4-yl]acetate
CID 46306796
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 46306717
ethyl 4-carbamoyl-5-[[2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]amino]-2-methylfuran-3-carboxylate
CID 108757051
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 9147641

Frequently Asked Questions

What is the IUPAC name of ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate (CID 46306856) is ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)C(C)n2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)c1C(N)=O.
What is the InChIKey of ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate?
The InChIKey is CDQLLZBNOKIDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O6/c1-6-36-26(35)20-16(5)37-24(21(20)22(27)33)28-23(34)15(4)30-18(32)12-13(2)19-14(3)29-31(25(19)30)17-10-8-7-9-11-17/h7-12,15H,6H2,1-5H3,(H2,27,33)(H,28,34).
What are the key properties of ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate?
ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate has a molecular weight of 505.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-carbamoyl-5-[2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)propanoylamino]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 46306856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).