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

C19H13ClF4N6O — CID 146288109

IUPACN-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCc1ncc(NC(=O)c2cnn(-c3ccc(F)c4nccn34)c2C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13ClF4N6O/c1-2-14-12(20)7-10(8-26-14)28-18(31)11-9-27-30(16(11)19(22,23)24)15-4-3-13(21)17-25-5-6-29(15)17/h3-9H,2H2,1H3,(H,28,31)
InChIKeyOCUGETRVESVXSE-UHFFFAOYSA-N
MW452.80 g/mol
LogP4.54
Rot. Bonds4

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

N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 146288109) has the molecular formula C19H13ClF4N6O and a molecular weight of 452.80 g/mol. Its IUPAC name is N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID146288109
Molecular FormulaC19H13ClF4N6O
Molecular Weight452.80 g/mol
Exact Mass452.08
IUPAC NameN-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCc1ncc(NC(=O)c2cnn(-c3ccc(F)c4nccn34)c2C(F)(F)F)cc1Cl
InChIInChI=1S/C19H13ClF4N6O/c1-2-14-12(20)7-10(8-26-14)28-18(31)11-9-27-30(16(11)19(22,23)24)15-4-3-13(21)17-25-5-6-29(15)17/h3-9H,2H2,1H3,(H,28,31)
InChIKeyOCUGETRVESVXSE-UHFFFAOYSA-N
XLogP4.54
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(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
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
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(3,4-difluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285027
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-(triazol-2-yl)-3-pyridinyl]-1-(2-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285371
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
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-pyrrolo[1,2-a]pyrazin-1-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610199
[6-[4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]carbamic acid
CID 134610250

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 146288109) is N-(5-chloro-6-ethyl-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-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CCc1ncc(NC(=O)c2cnn(-c3ccc(F)c4nccn34)c2C(F)(F)F)cc1Cl.
What is the InChIKey of N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is OCUGETRVESVXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N6O/c1-2-14-12(20)7-10(8-26-14)28-18(31)11-9-27-30(16(11)19(22,23)24)15-4-3-13(21)17-25-5-6-29(15)17/h3-9H,2H2,1H3,(H,28,31).
What are the key properties of N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 452.80 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-ethyl-3-pyridinyl)-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146288109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).