4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide

C26H26FN5O2 — CID 118171535

IUPAC4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1nn(C(C)CCc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(N)=O)nc2ccccc12
InChIInChI=1S/C26H26FN5O2/c1-15(8-9-18-10-12-19(27)13-11-18)32-17(3)24(16(2)31-32)30-26(34)21-14-23(25(28)33)29-22-7-5-4-6-20(21)22/h4-7,10-15H,8-9H2,1-3H3,(H2,28,33)(H,30,34)
InChIKeyOXIMPVAAHCPYJD-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.73
Rot. Bonds7

About 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide

4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 118171535) has the molecular formula C26H26FN5O2 and a molecular weight of 459.53 g/mol. Its IUPAC name is 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
PubChem CID118171535
Molecular FormulaC26H26FN5O2
Molecular Weight459.53 g/mol
Exact Mass459.21
IUPAC Name4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1nn(C(C)CCc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(N)=O)nc2ccccc12
InChIInChI=1S/C26H26FN5O2/c1-15(8-9-18-10-12-19(27)13-11-18)32-17(3)24(16(2)31-32)30-26(34)21-14-23(25(28)33)29-22-7-5-4-6-20(21)22/h4-7,10-15H,8-9H2,1-3H3,(H2,28,33)(H,30,34)
InChIKeyOXIMPVAAHCPYJD-UHFFFAOYSA-N
XLogP4.73
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-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

Related Compounds

4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
4-N-[1-[3-(4-methoxyphenyl)propyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191382
4-N-[1-[(4-acetylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 140770531
7-fluoro-4-N-[5-methyl-1-(1-phenylethyl)-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171139
4-N-[1-[[3-(1-hydroxyethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172657
4-N-[3,5-dimethyl-1-(piperidin-4-ylmethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 123968266
4-N-[3,5-dimethyl-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171878
N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylquinoline-4-carboxamide
CID 1236021
7-fluoro-4-N-[5-methyl-1-[(4-propan-2-ylphenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172414
N-[1-[(4-fluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-propanoylquinoline-4-carboxamide
CID 159947517
4-N-[5-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 140770586
4-N-[1-[2-(4-cyanophenoxy)ethyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191390

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The IUPAC name of 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide (CID 118171535) is 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The canonical SMILES for 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide is Cc1nn(C(C)CCc2ccc(F)cc2)c(C)c1NC(=O)c1cc(C(N)=O)nc2ccccc12.
What is the InChIKey of 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The InChIKey is OXIMPVAAHCPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O2/c1-15(8-9-18-10-12-19(27)13-11-18)32-17(3)24(16(2)31-32)30-26(34)21-14-23(25(28)33)29-22-7-5-4-6-20(21)22/h4-7,10-15H,8-9H2,1-3H3,(H2,28,33)(H,30,34).
What are the key properties of 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 459.53 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[4-(4-fluorophenyl)butan-2-yl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 118171535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).