N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide

C25H21FN6O4 — CID 142699278

IUPACN-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2c(-c3ccc(F)cc3)n[nH]c2C(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C25H21FN6O4/c1-36-19-6-2-4-15(12-19)13-20(33)28-22-21(16-7-9-18(26)10-8-16)29-30-23(22)25(35)32-31-24(34)17-5-3-11-27-14-17/h2-12,14H,13H2,1H3,(H,28,33)(H,29,30)(H,31,34)(H,32,35)
InChIKeyHOBRVNARTJAHGI-UHFFFAOYSA-N
MW488.48 g/mol
LogP2.88
Rot. Bonds7

About N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide

N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 142699278) has the molecular formula C25H21FN6O4 and a molecular weight of 488.48 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID142699278
Molecular FormulaC25H21FN6O4
Molecular Weight488.48 g/mol
Exact Mass488.16
IUPAC NameN-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2c(-c3ccc(F)cc3)n[nH]c2C(=O)NNC(=O)c2cccnc2)c1
InChIInChI=1S/C25H21FN6O4/c1-36-19-6-2-4-15(12-19)13-20(33)28-22-21(16-7-9-18(26)10-8-16)29-30-23(22)25(35)32-31-24(34)17-5-3-11-27-14-17/h2-12,14H,13H2,1H3,(H,28,33)(H,29,30)(H,31,34)(H,32,35)
InChIKeyHOBRVNARTJAHGI-UHFFFAOYSA-N
XLogP2.88
TPSA138.10 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.48
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)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-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925379
N-[3-(4-tert-butylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 42874156
N'-[2-(3-methoxyphenoxy)acetyl]pyridine-3-carbohydrazide
CID 17386186
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2090704
1-(3-methoxyphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621028
N'-[2-(4-fluorophenoxy)acetyl]-3-methoxybenzohydrazide
CID 8880066
N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803289
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]-2-pyridin-3-ylacetamide
CID 23589897
2-[3-(3-fluorophenyl)-1H-indazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22260918
N'-[2-(3,4,5-trimethoxyphenyl)acetyl]pyridine-3-carbohydrazide
CID 46651699

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide (CID 142699278) is N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2c(-c3ccc(F)cc3)n[nH]c2C(=O)NNC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is HOBRVNARTJAHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O4/c1-36-19-6-2-4-15(12-19)13-20(33)28-22-21(16-7-9-18(26)10-8-16)29-30-23(22)25(35)32-31-24(34)17-5-3-11-27-14-17/h2-12,14H,13H2,1H3,(H,28,33)(H,29,30)(H,31,34)(H,32,35).
What are the key properties of N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide?
N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 488.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-5-[(pyridine-3-carbonylamino)carbamoyl]-1H-pyrazol-4-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 142699278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).