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

C22H11ClF4N6O2 — CID 134609850

IUPACN-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-c2ncco2)c(Cl)c1)c1cnn(-c2ccc(F)c3ncccc23)c1C(F)(F)F
InChIInChI=1S/C22H11ClF4N6O2/c23-14-8-11(9-30-18(14)21-29-6-7-35-21)32-20(34)13-10-31-33(19(13)22(25,26)27)16-4-3-15(24)17-12(16)2-1-5-28-17/h1-10H,(H,32,34)
InChIKeyHTMCVKLCRVCUNH-UHFFFAOYSA-N
MW502.82 g/mol
LogP5.53
Rot. Bonds4

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

N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609850) has the molecular formula C22H11ClF4N6O2 and a molecular weight of 502.82 g/mol. Its IUPAC name is N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609850
Molecular FormulaC22H11ClF4N6O2
Molecular Weight502.82 g/mol
Exact Mass502.06
IUPAC NameN-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-c2ncco2)c(Cl)c1)c1cnn(-c2ccc(F)c3ncccc23)c1C(F)(F)F
InChIInChI=1S/C22H11ClF4N6O2/c23-14-8-11(9-30-18(14)21-29-6-7-35-21)32-20(34)13-10-31-33(19(13)22(25,26)27)16-4-3-15(24)17-12(16)2-1-5-28-17/h1-10H,(H,32,34)
InChIKeyHTMCVKLCRVCUNH-UHFFFAOYSA-N
XLogP5.53
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.82
LogP ≤ 55.53
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-(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
N-(5-chloro-6-(oxazol-2-yl)pyridin-3-yl)-1-(quinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610159
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-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609850) is N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-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-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(-c2ncco2)c(Cl)c1)c1cnn(-c2ccc(F)c3ncccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HTMCVKLCRVCUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11ClF4N6O2/c23-14-8-11(9-30-18(14)21-29-6-7-35-21)32-20(34)13-10-31-33(19(13)22(25,26)27)16-4-3-15(24)17-12(16)2-1-5-28-17/h1-10H,(H,32,34).
What are the key properties of N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(1,3-oxazol-2-yl)-3-pyridinyl]-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 502.82 g/mol, XLogP of 5.53, 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-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).