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

C28H30N4O4 — CID 45160016

IUPACethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)CN1CC(c3ccccc3)CC1=O)CC2
InChIInChI=1S/C28H30N4O4/c1-2-36-28(35)27-23-18-30(14-13-24(23)32(29-27)16-20-9-5-3-6-10-20)26(34)19-31-17-22(15-25(31)33)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
InChIKeyVLDHTQZHNZBOAS-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.01
Rot. Bonds7

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

ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 45160016) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID45160016
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Nameethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)CN1CC(c3ccccc3)CC1=O)CC2
InChIInChI=1S/C28H30N4O4/c1-2-36-28(35)27-23-18-30(14-13-24(23)32(29-27)16-20-9-5-3-6-10-20)26(34)19-31-17-22(15-25(31)33)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3
InChIKeyVLDHTQZHNZBOAS-UHFFFAOYSA-N
XLogP3.01
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

ethyl 1-benzyl-5-(2-thiophen-2-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26139179
ethyl 1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26137849
ethyl 1-benzyl-5-(1-ethoxycarbonylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26220369
ethyl 1-benzyl-5-[3-(2-methoxyphenyl)-1H-pyrazole-5-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26134348
ethyl 5-(2-methoxyacetyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136993
ethyl 5-[(4-acetamidophenyl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26143774
ethyl 5-[(5-acetamidothiophen-2-yl)methyl]-1-benzyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136511
ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146857
ethyl 5-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26133523
ethyl 1-(pyridin-2-ylmethyl)-5-(2-thiophen-3-ylacetyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26146169
ethyl 1,5-bis[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26223172
ethyl 1-[(3-cyanophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 82585845

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 45160016) is ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)CN1CC(c3ccccc3)CC1=O)CC2.
What is the InChIKey of ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is VLDHTQZHNZBOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-2-36-28(35)27-23-18-30(14-13-24(23)32(29-27)16-20-9-5-3-6-10-20)26(34)19-31-17-22(15-25(31)33)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3.
What are the key properties of ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 486.57 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-5-[2-(2-oxo-4-phenylpyrrolidin-1-yl)acetyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 45160016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).