N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H23ClN4O3 — CID 53006099

IUPACN-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(C(=O)COc1ccc(Cl)cc1)C2
InChIInChI=1S/C23H23ClN4O3/c1-27-20-11-12-28(21(29)15-31-18-9-7-17(24)8-10-18)14-19(20)22(26-27)23(30)25-13-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,25,30)
InChIKeyPHQXXPFGVITANL-UHFFFAOYSA-N
MW438.92 g/mol
LogP2.97
Rot. Bonds6

About N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53006099) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53006099
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(C(=O)COc1ccc(Cl)cc1)C2
InChIInChI=1S/C23H23ClN4O3/c1-27-20-11-12-28(21(29)15-31-18-9-7-17(24)8-10-18)14-19(20)22(26-27)23(30)25-13-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,25,30)
InChIKeyPHQXXPFGVITANL-UHFFFAOYSA-N
XLogP2.97
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-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 N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53006099) is N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(C(=O)COc1ccc(Cl)cc1)C2.
What is the InChIKey of N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is PHQXXPFGVITANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-27-20-11-12-28(21(29)15-31-18-9-7-17(24)8-10-18)14-19(20)22(26-27)23(30)25-13-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,25,30).
What are the key properties of N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 438.92 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-(4-chlorophenoxy)acetyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53006099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).