benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate

C23H18F2N4O3 — CID 153388242

IUPACbenzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate
SMILESCc1ncc(-n2ccc(Oc3ccc(NC(=O)OCc4ccccc4)c(F)c3)n2)cc1F
InChIInChI=1S/C23H18F2N4O3/c1-15-19(24)11-17(13-26-15)29-10-9-22(28-29)32-18-7-8-21(20(25)12-18)27-23(30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,30)
InChIKeyBJYGMMYTXSWUAX-UHFFFAOYSA-N
MW436.42 g/mol
LogP5.39
Rot. Bonds6

About benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate

benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate (PubChem CID 153388242) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate
PubChem CID153388242
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC Namebenzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate
SMILESCc1ncc(-n2ccc(Oc3ccc(NC(=O)OCc4ccccc4)c(F)c3)n2)cc1F
InChIInChI=1S/C23H18F2N4O3/c1-15-19(24)11-17(13-26-15)29-10-9-22(28-29)32-18-7-8-21(20(25)12-18)27-23(30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,30)
InChIKeyBJYGMMYTXSWUAX-UHFFFAOYSA-N
XLogP5.39
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.42
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate?
The IUPAC name of benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate (CID 153388242) is benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate.
What is the SMILES notation for benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate?
The canonical SMILES for benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate is Cc1ncc(-n2ccc(Oc3ccc(NC(=O)OCc4ccccc4)c(F)c3)n2)cc1F.
What is the InChIKey of benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate?
The InChIKey is BJYGMMYTXSWUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c1-15-19(24)11-17(13-26-15)29-10-9-22(28-29)32-18-7-8-21(20(25)12-18)27-23(30)31-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,27,30).
What are the key properties of benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate?
benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate has a molecular weight of 436.42 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-fluoro-4-[1-(5-fluoro-6-methyl-3-pyridinyl)pyrazol-3-yl]oxyphenyl]carbamate is sourced from PubChem (CID 153388242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).