3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide

C23H15F6N5O2 — CID 118172348

IUPAC3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
SMILESCc1c(-c2c(C(N)=O)nc3cccc(F)c3c2C(N)=O)c(C(F)(F)F)nn1Cc1c(F)cccc1F
InChIInChI=1S/C23H15F6N5O2/c1-9-15(20(23(27,28)29)33-34(9)8-10-11(24)4-2-5-12(10)25)17-18(21(30)35)16-13(26)6-3-7-14(16)32-19(17)22(31)36/h2-7H,8H2,1H3,(H2,30,35)(H2,31,36)
InChIKeyITWYVTPLLWKSIU-UHFFFAOYSA-N
MW507.39 g/mol
LogP4.09
Rot. Bonds5

About 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide

3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide (PubChem CID 118172348) has the molecular formula C23H15F6N5O2 and a molecular weight of 507.39 g/mol. Its IUPAC name is 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
PubChem CID118172348
Molecular FormulaC23H15F6N5O2
Molecular Weight507.39 g/mol
Exact Mass507.11
IUPAC Name3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide
SMILESCc1c(-c2c(C(N)=O)nc3cccc(F)c3c2C(N)=O)c(C(F)(F)F)nn1Cc1c(F)cccc1F
InChIInChI=1S/C23H15F6N5O2/c1-9-15(20(23(27,28)29)33-34(9)8-10-11(24)4-2-5-12(10)25)17-18(21(30)35)16-13(26)6-3-7-14(16)32-19(17)22(31)36/h2-7H,8H2,1H3,(H2,30,35)(H2,31,36)
InChIKeyITWYVTPLLWKSIU-UHFFFAOYSA-N
XLogP4.09
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide 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 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide?
The IUPAC name of 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide (CID 118172348) is 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide.
What is the SMILES notation for 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide?
The canonical SMILES for 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide is Cc1c(-c2c(C(N)=O)nc3cccc(F)c3c2C(N)=O)c(C(F)(F)F)nn1Cc1c(F)cccc1F.
What is the InChIKey of 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide?
The InChIKey is ITWYVTPLLWKSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F6N5O2/c1-9-15(20(23(27,28)29)33-34(9)8-10-11(24)4-2-5-12(10)25)17-18(21(30)35)16-13(26)6-3-7-14(16)32-19(17)22(31)36/h2-7H,8H2,1H3,(H2,30,35)(H2,31,36).
What are the key properties of 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide?
3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide has a molecular weight of 507.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-fluoroquinoline-2,4-dicarboxamide is sourced from PubChem (CID 118172348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).