ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C27H28N4O5 — CID 45159818

IUPACethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)CC1C(=O)Nc3ccc(OC)cc31)CC2
InChIInChI=1S/C27H28N4O5/c1-3-36-27(34)25-21-16-30(12-11-23(21)31(29-25)15-17-7-5-4-6-8-17)24(32)14-20-19-13-18(35-2)9-10-22(19)28-26(20)33/h4-10,13,20H,3,11-12,14-16H2,1-2H3,(H,28,33)
InChIKeyPGRZSBRJEFPQSI-UHFFFAOYSA-N
MW488.54 g/mol
LogP3.13
Rot. Bonds7

About ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 45159818) has the molecular formula C27H28N4O5 and a molecular weight of 488.54 g/mol. Its IUPAC name is ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID45159818
Molecular FormulaC27H28N4O5
Molecular Weight488.54 g/mol
Exact Mass488.21
IUPAC Nameethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)CC1C(=O)Nc3ccc(OC)cc31)CC2
InChIInChI=1S/C27H28N4O5/c1-3-36-27(34)25-21-16-30(12-11-23(21)31(29-25)15-17-7-5-4-6-8-17)24(32)14-20-19-13-18(35-2)9-10-22(19)28-26(20)33/h4-10,13,20H,3,11-12,14-16H2,1-2H3,(H,28,33)
InChIKeyPGRZSBRJEFPQSI-UHFFFAOYSA-N
XLogP3.13
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 45159818) is ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)CC1C(=O)Nc3ccc(OC)cc31)CC2.
What is the InChIKey of ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is PGRZSBRJEFPQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O5/c1-3-36-27(34)25-21-16-30(12-11-23(21)31(29-25)15-17-7-5-4-6-8-17)24(32)14-20-19-13-18(35-2)9-10-22(19)28-26(20)33/h4-10,13,20H,3,11-12,14-16H2,1-2H3,(H,28,33).
What are the key properties of ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 488.54 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-5-[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 45159818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).