N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide

C24H23F2N5O3 — CID 137358692

IUPACN-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C#N)cc1F
InChIInChI=1S/C24H23F2N5O3/c1-33-21-7-6-16(25)10-18(21)24(32)29-12-15-5-4-14(9-20(15)26)22-19(11-27)23(28)31(30-22)17-3-2-8-34-13-17/h4-7,9-10,17H,2-3,8,12-13,28H2,1H3,(H,29,32)
InChIKeyAOZRYMWNODOTSH-UHFFFAOYSA-N
MW467.48 g/mol
LogP3.57
Rot. Bonds6

About N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide

N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide (PubChem CID 137358692) has the molecular formula C24H23F2N5O3 and a molecular weight of 467.48 g/mol. Its IUPAC name is N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
PubChem CID137358692
Molecular FormulaC24H23F2N5O3
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC NameN-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
SMILESCOc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C#N)cc1F
InChIInChI=1S/C24H23F2N5O3/c1-33-21-7-6-16(25)10-18(21)24(32)29-12-15-5-4-14(9-20(15)26)22-19(11-27)23(28)31(30-22)17-3-2-8-34-13-17/h4-7,9-10,17H,2-3,8,12-13,28H2,1H3,(H,29,32)
InChIKeyAOZRYMWNODOTSH-UHFFFAOYSA-N
XLogP3.57
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-[5-amino-4-cyano-1-[(3R)-oxan-3-yl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358646
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-formyl-1-(oxan-3-yl)pyrazol-3-yl]-2,3-difluorophenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 155106514
N-[[4-[4-acetyl-5-amino-1-(oxolan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-2-methoxybenzamide
CID 155106397
5-amino-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 129248228
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
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-[1-(oxan-4-yl)ethyl]pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358593
tert-butyl 4-[5-amino-4-cyano-3-[3-fluoro-4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazol-1-yl]-3,3-difluoropyrrolidine-1-carboxylate
CID 137358833
N-[[4-[5-amino-4-cyano-1-(4,4-difluoro-1-methylpyrrolidin-3-yl)pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 137358715
N-[[4-[5-amino-4-cyano-1-(1-ethyl-4,4-difluoropyrrolidin-2-yl)pyrazol-3-yl]phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 162572457
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-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The IUPAC name of N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide (CID 137358692) is N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide.
What is the SMILES notation for N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The canonical SMILES for N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide is COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C#N)cc1F.
What is the InChIKey of N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
The InChIKey is AOZRYMWNODOTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O3/c1-33-21-7-6-16(25)10-18(21)24(32)29-12-15-5-4-14(9-20(15)26)22-19(11-27)23(28)31(30-22)17-3-2-8-34-13-17/h4-7,9-10,17H,2-3,8,12-13,28H2,1H3,(H,29,32).
What are the key properties of N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide?
N-[[4-[5-amino-4-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide has a molecular weight of 467.48 g/mol, XLogP of 3.57, 6 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-cyano-1-(oxan-3-yl)pyrazol-3-yl]-2-fluorophenyl]methyl]-5-fluoro-2-methoxybenzamide is sourced from PubChem (CID 137358692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).