2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C25H22ClN5O3 — CID 25114098

IUPAC2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)cc12
InChIInChI=1S/C25H22ClN5O3/c1-29(2)25(34)23(32)18-13-27-20-8-7-15(11-17(18)20)24(33)30-10-9-21-16(14-30)12-28-31(21)22-6-4-3-5-19(22)26/h3-8,11-13,27H,9-10,14H2,1-2H3
InChIKeyCTTUJGJIKMIXEI-UHFFFAOYSA-N
MW475.94 g/mol
LogP3.48
Rot. Bonds4

About 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 25114098) has the molecular formula C25H22ClN5O3 and a molecular weight of 475.94 g/mol. Its IUPAC name is 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID25114098
Molecular FormulaC25H22ClN5O3
Molecular Weight475.94 g/mol
Exact Mass475.14
IUPAC Name2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)cc12
InChIInChI=1S/C25H22ClN5O3/c1-29(2)25(34)23(32)18-13-27-20-8-7-15(11-17(18)20)24(33)30-10-9-21-16(14-30)12-28-31(21)22-6-4-3-5-19(22)26/h3-8,11-13,27H,9-10,14H2,1-2H3
InChIKeyCTTUJGJIKMIXEI-UHFFFAOYSA-N
XLogP3.48
TPSA91.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.94
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 25114098) is 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1c[nH]c2ccc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)cc12.
What is the InChIKey of 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is CTTUJGJIKMIXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O3/c1-29(2)25(34)23(32)18-13-27-20-8-7-15(11-17(18)20)24(33)30-10-9-21-16(14-30)12-28-31(21)22-6-4-3-5-19(22)26/h3-8,11-13,27H,9-10,14H2,1-2H3.
What are the key properties of 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 475.94 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2-chlorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 25114098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).