N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide

C24H23F3N4O4 — CID 155106514

IUPACN-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C=O)c(F)c1F
InChIInChI=1S/C24H23F3N4O4/c1-34-19-7-5-14(25)9-17(19)24(33)29-10-13-4-6-16(21(27)20(13)26)22-18(11-32)23(28)31(30-22)15-3-2-8-35-12-15/h4-7,9,11,15H,2-3,8,10,12,28H2,1H3,(H,29,33)
InChIKeyFVCLHZPFYWHLHD-UHFFFAOYSA-N
MW488.47 g/mol
LogP3.65
Rot. Bonds7

About N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide

N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide (PubChem CID 155106514) has the molecular formula C24H23F3N4O4 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
PubChem CID155106514
Molecular FormulaC24H23F3N4O4
Molecular Weight488.47 g/mol
Exact Mass488.17
IUPAC NameN-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C=O)c(F)c1F
InChIInChI=1S/C24H23F3N4O4/c1-34-19-7-5-14(25)9-17(19)24(33)29-10-13-4-6-16(21(27)20(13)26)22-18(11-32)23(28)31(30-22)15-3-2-8-35-12-15/h4-7,9,11,15H,2-3,8,10,12,28H2,1H3,(H,29,33)
InChIKeyFVCLHZPFYWHLHD-UHFFFAOYSA-N
XLogP3.65
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(5-amino-1-cyclopentyl-4-formylpyrazol-3-yl)-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 129270240
N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358692
N-[[4-[5-amino-4-cyano-1-[(3R)-oxan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358646
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-cyclopentylpyrazol-3-yl)-2,3-difluorophenyl]methyl]-2-methoxybenzamide
CID 137358623
N-[[4-[5-amino-4-cyano-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358779
N-[[4-[5-amino-4-(aminomethyl)-1-cyclopentylpyrazol-3-yl]-3-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 170415627
N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide
CID 155106397
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-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
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-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide (CID 155106514) is N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C=O)c(F)c1F.
What is the InChIKey of N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is FVCLHZPFYWHLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O4/c1-34-19-7-5-14(25)9-17(19)24(33)29-10-13-4-6-16(21(27)20(13)26)22-18(11-32)23(28)31(30-22)15-3-2-8-35-12-15/h4-7,9,11,15H,2-3,8,10,12,28H2,1H3,(H,29,33).
What are the key properties of N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 488.47 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-amino-4-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 155106514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).