3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C38H46ClN7O2S — CID 59780598

IUPAC3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESNC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CN5CCC(N6CCCC6=O)CC5)cc4)c3)nn2CCCN2CCSCC2)C1
InChIInChI=1S/C38H46ClN7O2S/c39-34-11-10-31(37-33-27-44(38(40)48)20-14-35(33)46(41-37)17-2-15-42-21-23-49-24-22-42)25-30(34)9-8-28-4-6-29(7-5-28)26-43-18-12-32(13-19-43)45-16-1-3-36(45)47/h4-7,10-11,25,32H,1-3,12-24,26-27H2,(H2,40,48)
InChIKeyFILZYUVROFWAQS-UHFFFAOYSA-N
MW700.35 g/mol
LogP5.07
Rot. Bonds8

About 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 59780598) has the molecular formula C38H46ClN7O2S and a molecular weight of 700.35 g/mol. Its IUPAC name is 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID59780598
Molecular FormulaC38H46ClN7O2S
Molecular Weight700.35 g/mol
Exact Mass699.31
IUPAC Name3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESNC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CN5CCC(N6CCCC6=O)CC5)cc4)c3)nn2CCCN2CCSCC2)C1
InChIInChI=1S/C38H46ClN7O2S/c39-34-11-10-31(37-33-27-44(38(40)48)20-14-35(33)46(41-37)17-2-15-42-21-23-49-24-22-42)25-30(34)9-8-28-4-6-29(7-5-28)26-43-18-12-32(13-19-43)45-16-1-3-36(45)47/h4-7,10-11,25,32H,1-3,12-24,26-27H2,(H2,40,48)
InChIKeyFILZYUVROFWAQS-UHFFFAOYSA-N
XLogP5.07
TPSA90.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.35
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 59780598) is 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is NC(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CN5CCC(N6CCCC6=O)CC5)cc4)c3)nn2CCCN2CCSCC2)C1.
What is the InChIKey of 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is FILZYUVROFWAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46ClN7O2S/c39-34-11-10-31(37-33-27-44(38(40)48)20-14-35(33)46(41-37)17-2-15-42-21-23-49-24-22-42)25-30(34)9-8-28-4-6-29(7-5-28)26-43-18-12-32(13-19-43)45-16-1-3-36(45)47/h4-7,10-11,25,32H,1-3,12-24,26-27H2,(H2,40,48).
What are the key properties of 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 700.35 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-[2-[4-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 59780598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).