N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H12ClF3N6O2 — CID 134610159

IUPACN-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-c2ncco2)c(Cl)c1)c1cnn(-c2cccc3ncccc23)c1C(F)(F)F
InChIInChI=1S/C22H12ClF3N6O2/c23-15-9-12(10-29-18(15)21-28-7-8-34-21)31-20(33)14-11-30-32(19(14)22(24,25)26)17-5-1-4-16-13(17)3-2-6-27-16/h1-11H,(H,31,33)
InChIKeyVMZLQUHCGKYNGZ-UHFFFAOYSA-N
MW484.83 g/mol
LogP5.39
Rot. Bonds4

About N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134610159) has the molecular formula C22H12ClF3N6O2 and a molecular weight of 484.83 g/mol. Its IUPAC name is N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134610159
Molecular FormulaC22H12ClF3N6O2
Molecular Weight484.83 g/mol
Exact Mass484.07
IUPAC NameN-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-c2ncco2)c(Cl)c1)c1cnn(-c2cccc3ncccc23)c1C(F)(F)F
InChIInChI=1S/C22H12ClF3N6O2/c23-15-9-12(10-29-18(15)21-28-7-8-34-21)31-20(33)14-11-30-32(19(14)22(24,25)26)17-5-1-4-16-13(17)3-2-6-27-16/h1-11H,(H,31,33)
InChIKeyVMZLQUHCGKYNGZ-UHFFFAOYSA-N
XLogP5.39
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.83
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9738655, Example 93
CID 117602110
N-(5-chloro-6-(1,3,4-oxadiazol-2-yl)pyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609772
N-(5-chloro-6-(oxazol-2-yl)pyridin-3-yl)-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609850
N-(5-chloro-6-(oxazol-2-yl)pyridin-3-yl)-1-(isoquinolin-8-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609892
N-(5-chloro-6-(1,3,4-oxadiazol-2-yl)pyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609955
methyl 3-chloro-5-(1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate
CID 134610342
N-(5-chloro-6-(oxazol-2-yl)pyridin-3-yl)-1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610344
N-(5-chloro-6-(oxazol-2-yl)pyridin-3-yl)-1-(1-oxo-1,2-dihydroisoquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 156601107
N-[(6-chloropyridazin-3-yl)methyl]-2-[5-fluoro-2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
CID 121272607
8-chloro-4-[(5,6-difluoro-3-pyridinyl)amino]-6-[[(S)-[3-(1,3-oxazol-2-yl)phenyl]-[1-(oxetan-3-yl)triazol-4-yl]methyl]amino]quinoline-3-carbonitrile
CID 132105305
8-Chloro-4-[(5,6-difluoro-3-pyridinyl)amino]-6-[[[3-(1,3-oxazol-2-yl)phenyl]-[1-(oxetan-3-yl)triazol-4-yl]methyl]amino]quinoline-3-carbonitrile
CID 132105309
N-[5-chloro-6-(1,3-oxazol-2-yl)pyridin-3-yl]-1-(1-oxo-2H-isoquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610168

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134610159) is N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(-c2ncco2)c(Cl)c1)c1cnn(-c2cccc3ncccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is VMZLQUHCGKYNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF3N6O2/c23-15-9-12(10-29-18(15)21-28-7-8-34-21)31-20(33)14-11-30-32(19(14)22(24,25)26)17-5-1-4-16-13(17)3-2-6-27-16/h1-11H,(H,31,33).
What are the key properties of N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 484.83 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134610159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).