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

C22H24N4O2 — CID 45160320

IUPACN-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc(O)c1)C2
InChIInChI=1S/C22H24N4O2/c1-25-20-10-11-26(14-17-8-5-9-18(27)12-17)15-19(20)21(24-25)22(28)23-13-16-6-3-2-4-7-16/h2-9,12,27H,10-11,13-15H2,1H3,(H,23,28)
InChIKeyCHEOADFYUWIHQI-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.61
Rot. Bonds5

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

N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45160320) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID45160320
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc(O)c1)C2
InChIInChI=1S/C22H24N4O2/c1-25-20-10-11-26(14-17-8-5-9-18(27)12-17)15-19(20)21(24-25)22(28)23-13-16-6-3-2-4-7-16/h2-9,12,27H,10-11,13-15H2,1H3,(H,23,28)
InChIKeyCHEOADFYUWIHQI-UHFFFAOYSA-N
XLogP2.61
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-5-[(3-hydroxyphenyl)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 N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45160320) is N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cn1nc(C(=O)NCc2ccccc2)c2c1CCN(Cc1cccc(O)c1)C2.
What is the InChIKey of N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is CHEOADFYUWIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-25-20-10-11-26(14-17-8-5-9-18(27)12-17)15-19(20)21(24-25)22(28)23-13-16-6-3-2-4-7-16/h2-9,12,27H,10-11,13-15H2,1H3,(H,23,28).
What are the key properties of N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(3-hydroxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45160320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).