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

C23H18FN5OS — CID 22032552

IUPAC5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C23H18FN5OS/c1-28(2)23(30)20-9-8-19(31-20)18-12-25-21-10-5-15(13-29(18)21)17-11-26-27-22(17)14-3-6-16(24)7-4-14/h3-13H,1-2H3,(H,26,27)
InChIKeySOURUOMSWLAJTA-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.96
Rot. Bonds4

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

5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 22032552) has the molecular formula C23H18FN5OS and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-2-carboxamide
PubChem CID22032552
Molecular FormulaC23H18FN5OS
Molecular Weight431.50 g/mol
Exact Mass431.12
IUPAC Name5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cnc3ccc(-c4cn[nH]c4-c4ccc(F)cc4)cn23)s1
InChIInChI=1S/C23H18FN5OS/c1-28(2)23(30)20-9-8-19(31-20)18-12-25-21-10-5-15(13-29(18)21)17-11-26-27-22(17)14-3-6-16(24)7-4-14/h3-13H,1-2H3,(H,26,27)
InChIKeySOURUOMSWLAJTA-UHFFFAOYSA-N
XLogP4.96
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
N-(5-((benzylamino)methyl)-1-(2-hydroxy-2-methylpropyl)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 44573377
N-(1-(2-hydroxy-2-methylpropyl)-5-((methyl(pyridin-3-ylmethyl)amino)methyl)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 44573424
5-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 70694645
5-butyl-N-[(3-methylimidazol-4-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72165163

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,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-2-carboxamide (CID 22032552) is 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-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,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-2-carboxamide is CN(C)C(=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,N-dimethylthiophene-2-carboxamide?
The InChIKey is SOURUOMSWLAJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5OS/c1-28(2)23(30)20-9-8-19(31-20)18-12-25-21-10-5-15(13-29(18)21)17-11-26-27-22(17)14-3-6-16(24)7-4-14/h3-13H,1-2H3,(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,N-dimethylthiophene-2-carboxamide?
5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 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,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 22032552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).