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

C22H20ClFN4O2 — CID 53066565

IUPAC5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C22H20ClFN4O2/c1-27-19-10-11-28(22(30)16-4-2-3-5-18(16)23)13-17(19)20(26-27)21(29)25-12-14-6-8-15(24)9-7-14/h2-9H,10-13H2,1H3,(H,25,29)
InChIKeyUPNZJJRGGVFZRB-UHFFFAOYSA-N
MW426.88 g/mol
LogP3.34
Rot. Bonds4

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

5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53066565) has the molecular formula C22H20ClFN4O2 and a molecular weight of 426.88 g/mol. Its IUPAC name is 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53066565
Molecular FormulaC22H20ClFN4O2
Molecular Weight426.88 g/mol
Exact Mass426.13
IUPAC Name5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C22H20ClFN4O2/c1-27-19-10-11-28(22(30)16-4-2-3-5-18(16)23)13-17(19)20(26-27)21(29)25-12-14-6-8-15(24)9-7-14/h2-9H,10-13H2,1H3,(H,25,29)
InChIKeyUPNZJJRGGVFZRB-UHFFFAOYSA-N
XLogP3.34
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-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 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53066565) is 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)c2c1CCN(C(=O)c1ccccc1Cl)C2.
What is the InChIKey of 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is UPNZJJRGGVFZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O2/c1-27-19-10-11-28(22(30)16-4-2-3-5-18(16)23)13-17(19)20(26-27)21(29)25-12-14-6-8-15(24)9-7-14/h2-9H,10-13H2,1H3,(H,25,29).
What are the key properties of 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 426.88 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorobenzoyl)-N-[(4-fluorophenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53066565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).