N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide

C24H25FN4O4 — CID 155106397

IUPACN-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(C)=O)cc1F
InChIInChI=1S/C24H25FN4O4/c1-14(30)21-22(28-29(23(21)26)17-9-10-33-13-17)15-7-8-16(19(25)11-15)12-27-24(31)18-5-3-4-6-20(18)32-2/h3-8,11,17H,9-10,12-13,26H2,1-2H3,(H,27,31)
InChIKeyRGEGBLUMXMXWMI-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.37
Rot. Bonds7

About N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide

N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide (PubChem CID 155106397) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide
PubChem CID155106397
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC NameN-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(C)=O)cc1F
InChIInChI=1S/C24H25FN4O4/c1-14(30)21-22(28-29(23(21)26)17-9-10-33-13-17)15-7-8-16(19(25)11-15)12-27-24(31)18-5-3-4-6-20(18)32-2/h3-8,11,17H,9-10,12-13,26H2,1-2H3,(H,27,31)
InChIKeyRGEGBLUMXMXWMI-UHFFFAOYSA-N
XLogP3.37
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;ethane;toluene
CID 145332683
5-amino-3-[2,3-difluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248234
N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358692
5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
5-amino-1-[4,4-difluoro-1-(oxetan-3-yl)pyrrolidin-3-yl]-3-[3-fluoro-4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethane
CID 145332712
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
N-[[4-[5-amino-4-cyano-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358779
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-5-(methylamino)-1-(oxolan-3-yl)pyrazole-4-carboxamide;prop-1-ene
CID 145332734
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
N-[[4-[5-amino-4-cyano-1-(oxan-4-yl)pyrazol-3-yl]-3-fluorophenyl]methyl]-2-methoxybenzamide
CID 137358739

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide (CID 155106397) is N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(C)=O)cc1F.
What is the InChIKey of N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide?
The InChIKey is RGEGBLUMXMXWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-14(30)21-22(28-29(23(21)26)17-9-10-33-13-17)15-7-8-16(19(25)11-15)12-27-24(31)18-5-3-4-6-20(18)32-2/h3-8,11,17H,9-10,12-13,26H2,1-2H3,(H,27,31).
What are the key properties of N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide?
N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide has a molecular weight of 452.49 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 155106397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).