2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide

C19H16N4O3 — CID 71899476

IUPAC2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C19H16N4O3/c24-18(10-16-14-4-1-2-5-15(14)19(25)26-16)21-12-13-6-7-17(20-11-13)23-9-3-8-22-23/h1-9,11,16H,10,12H2,(H,21,24)
InChIKeyCCACJNOTFXXXGK-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.19
Rot. Bonds5

About 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide

2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide (PubChem CID 71899476) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
PubChem CID71899476
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C19H16N4O3/c24-18(10-16-14-4-1-2-5-15(14)19(25)26-16)21-12-13-6-7-17(20-11-13)23-9-3-8-22-23/h1-9,11,16H,10,12H2,(H,21,24)
InChIKeyCCACJNOTFXXXGK-UHFFFAOYSA-N
XLogP2.19
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 167837508
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
5-(2-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986265
1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47024839
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 30377907
3-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
CID 55596868
N-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 51104033
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 47062005
5-cyclopropyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 75264160

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide (CID 71899476) is 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide is O=C(CC1OC(=O)c2ccccc21)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
The InChIKey is CCACJNOTFXXXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c24-18(10-16-14-4-1-2-5-15(14)19(25)26-16)21-12-13-6-7-17(20-11-13)23-9-3-8-22-23/h1-9,11,16H,10,12H2,(H,21,24).
What are the key properties of 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide?
2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide has a molecular weight of 348.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 71899476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).