N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H12ClF4N7O2 — CID 146279708

IUPACN-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1coc(-c2ncc(NC(=O)c3cnn(-c4ccc(F)c5nccn45)c3C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C21H12ClF4N7O2/c1-10-9-35-20(30-10)16-13(22)6-11(7-28-16)31-19(34)12-8-29-33(17(12)21(24,25)26)15-3-2-14(23)18-27-4-5-32(15)18/h2-9H,1H3,(H,31,34)
InChIKeyXNFNEHLBIJXBOX-UHFFFAOYSA-N
MW505.82 g/mol
LogP4.94
Rot. Bonds4

About N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146279708) has the molecular formula C21H12ClF4N7O2 and a molecular weight of 505.82 g/mol. Its IUPAC name is N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146279708
Molecular FormulaC21H12ClF4N7O2
Molecular Weight505.82 g/mol
Exact Mass505.07
IUPAC NameN-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1coc(-c2ncc(NC(=O)c3cnn(-c4ccc(F)c5nccn45)c3C(F)(F)F)cc2Cl)n1
InChIInChI=1S/C21H12ClF4N7O2/c1-10-9-35-20(30-10)16-13(22)6-11(7-28-16)31-19(34)12-8-29-33(17(12)21(24,25)26)15-3-2-14(23)18-27-4-5-32(15)18/h2-9H,1H3,(H,31,34)
InChIKeyXNFNEHLBIJXBOX-UHFFFAOYSA-N
XLogP4.94
TPSA103.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.82
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[5-chloro-6-(5-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146279696
N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146288109
N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 158370310
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-cyanoimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146279677
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-methylsulfinylpyrazole-4-carboxamide
CID 146288346
1-(2-chloro-4-fluoro-3-methylphenyl)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285087
N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610112
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)-1-[3-(trimethyl-λ4-sulfanyl)phenyl]pyrazole-4-carboxamide
CID 153295787
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrazolo[1,5-a]pyrazin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134609857
1-(3-amino-2-aminosulfanylphenyl)-N-[5-chloro-6-(1-methylpyrazol-3-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 135169836
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146279708) is N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1coc(-c2ncc(NC(=O)c3cnn(-c4ccc(F)c5nccn45)c3C(F)(F)F)cc2Cl)n1.
What is the InChIKey of N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XNFNEHLBIJXBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF4N7O2/c1-10-9-35-20(30-10)16-13(22)6-11(7-28-16)31-19(34)12-8-29-33(17(12)21(24,25)26)15-3-2-14(23)18-27-4-5-32(15)18/h2-9H,1H3,(H,31,34).
What are the key properties of N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 505.82 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(4-methyl-1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146279708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).