2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid

C21H14ClFN4O2 — CID 11223561

IUPAC2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cc(-c2ccc(F)cc2)nn1-c1ccccc1Cl
InChIInChI=1S/C21H14ClFN4O2/c22-16-5-1-2-6-18(16)27-19(25-20-15(21(28)29)4-3-11-24-20)12-17(26-27)13-7-9-14(23)10-8-13/h1-12H,(H,24,25)(H,28,29)
InChIKeyCGWBDWGRPXHSNZ-UHFFFAOYSA-N
MW408.82 g/mol
LogP5.17
Rot. Bonds5

About 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid

2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (PubChem CID 11223561) has the molecular formula C21H14ClFN4O2 and a molecular weight of 408.82 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
PubChem CID11223561
Molecular FormulaC21H14ClFN4O2
Molecular Weight408.82 g/mol
Exact Mass408.08
IUPAC Name2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1Nc1cc(-c2ccc(F)cc2)nn1-c1ccccc1Cl
InChIInChI=1S/C21H14ClFN4O2/c22-16-5-1-2-6-18(16)27-19(25-20-15(21(28)29)4-3-11-24-20)12-17(26-27)13-7-9-14(23)10-8-13/h1-12H,(H,24,25)(H,28,29)
InChIKeyCGWBDWGRPXHSNZ-UHFFFAOYSA-N
XLogP5.17
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.82
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 44561625
CID 44561625
CID 44561627
CID 44561627
CID 56950743
CID 56950743
CID 44561773
CID 44561773
CID 44561775
CID 44561775
CID 44561890
CID 44561890
CID 118497109
CID 118497109
CID 139220135
CID 139220135
CID 139220137
CID 139220137
CID 137978512
CID 137978512
CID 11222956
CID 11222956
CID 11257548
CID 11257548

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid (CID 11223561) is 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1Nc1cc(-c2ccc(F)cc2)nn1-c1ccccc1Cl.
What is the InChIKey of 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is CGWBDWGRPXHSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN4O2/c22-16-5-1-2-6-18(16)27-19(25-20-15(21(28)29)4-3-11-24-20)12-17(26-27)13-7-9-14(23)10-8-13/h1-12H,(H,24,25)(H,28,29).
What are the key properties of 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid?
2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 408.82 g/mol, XLogP of 5.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)-3-(4-fluorophenyl)pyrazol-5-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 11223561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).