5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide

C22H16FN5OS — CID 22927858

IUPAC5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C22H16FN5OS/c1-24-22(29)19-8-7-18(30-19)17-11-25-20-9-4-14(12-28(17)20)16-10-26-27-21(16)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,24,29)(H,26,27)
InChIKeyXWOUHOISUDAOHT-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.62
Rot. Bonds4

About 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide

5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide (PubChem CID 22927858) has the molecular formula C22H16FN5OS and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
PubChem CID22927858
Molecular FormulaC22H16FN5OS
Molecular Weight417.47 g/mol
Exact Mass417.11
IUPAC Name5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C22H16FN5OS/c1-24-22(29)19-8-7-18(30-19)17-11-25-20-9-4-14(12-28(17)20)16-10-26-27-21(16)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,24,29)(H,26,27)
InChIKeyXWOUHOISUDAOHT-UHFFFAOYSA-N
XLogP4.62
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Tert-Butyl-N-[6-(1h-Pyrazol-4-Yl)imidazo[1,2-A]pyridin-2-Yl]benzamide
CID 24945008
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 25190534
N-((1R,6R)-6-Amino-2,2-difluorocyclohexyl)-5-methyl-4-(6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
CID 25141108
N-(5-((cyclohexylamino)methyl)-1-(2-hydroxy-2-methylpropyl)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 44573309
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]thiophene-3-carboxamide
CID 89913832
US11098041, Example 132
CID 121249676
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764
US10100058, Example 105
CID 134540034
US10100058, Example 228
CID 134540119
2-Aminobenzimidazole with trans-stilbene, 8v
CID 25169252
N-[2-(dimethylamino)ethyl]-3-(6-thiophen-2-ylimidazo[1,2-b]pyridazin-3-yl)benzamide
CID 137227337

Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide (CID 22927858) is 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1.
What is the InChIKey of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
The InChIKey is XWOUHOISUDAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5OS/c1-24-22(29)19-8-7-18(30-19)17-11-25-20-9-4-14(12-28(17)20)16-10-26-27-21(16)13-2-5-15(23)6-3-13/h2-12H,1H3,(H,24,29)(H,26,27).
What are the key properties of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide?
5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 22927858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).