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

C22H18FN5O2 — CID 118678442

IUPAC2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1c(NC(=O)c2cc(C(N)=O)c3ccccc3n2)cnn1Cc1cccc(F)c1
InChIInChI=1S/C22H18FN5O2/c1-13-20(11-25-28(13)12-14-5-4-6-15(23)9-14)27-22(30)19-10-17(21(24)29)16-7-2-3-8-18(16)26-19/h2-11H,12H2,1H3,(H2,24,29)(H,27,30)
InChIKeyOJFWZVALZIIYJM-UHFFFAOYSA-N
MW403.42 g/mol
LogP3.28
Rot. Bonds5

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

2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide (PubChem CID 118678442) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
PubChem CID118678442
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC Name2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
SMILESCc1c(NC(=O)c2cc(C(N)=O)c3ccccc3n2)cnn1Cc1cccc(F)c1
InChIInChI=1S/C22H18FN5O2/c1-13-20(11-25-28(13)12-14-5-4-6-15(23)9-14)27-22(30)19-10-17(21(24)29)16-7-2-3-8-18(16)26-19/h2-11H,12H2,1H3,(H2,24,29)(H,27,30)
InChIKeyOJFWZVALZIIYJM-UHFFFAOYSA-N
XLogP3.28
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118678446
2-N-[1-[(4-cyanophenyl)methyl]-5-methylpyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118678467
2-N-[1-[(3-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171356
2-N-[3,5-dimethyl-1-[(3-methylsulfonylphenyl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118172240
2-N-[1-[[4-(cyanomethyl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171849
4-N-[5-methyl-1-[(5-propanoyl-1,2,4-oxadiazol-3-yl)methyl]pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 158943853
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
2-N-[1-[(4-carbamoylphenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118172557
2-N-[1-[(2,6-difluorophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118172672
2-N-[5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118171674
N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26689268
N-(1,5-dimethylpyrazol-4-yl)-4-methylquinoline-2-carboxamide
CID 139005259

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The IUPAC name of 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide (CID 118678442) is 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The canonical SMILES for 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide is Cc1c(NC(=O)c2cc(C(N)=O)c3ccccc3n2)cnn1Cc1cccc(F)c1.
What is the InChIKey of 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
The InChIKey is OJFWZVALZIIYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-13-20(11-25-28(13)12-14-5-4-6-15(23)9-14)27-22(30)19-10-17(21(24)29)16-7-2-3-8-18(16)26-19/h2-11H,12H2,1H3,(H2,24,29)(H,27,30).
What are the key properties of 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide?
2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide has a molecular weight of 403.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]quinoline-2,4-dicarboxamide is sourced from PubChem (CID 118678442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).