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

C21H11ClF3N7O2 — CID 134609772

IUPACN-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-c2nnco2)c(Cl)c1)c1cnn(-c2cncc3ccccc23)c1C(F)(F)F
InChIInChI=1S/C21H11ClF3N7O2/c22-15-5-12(7-27-17(15)20-31-28-10-34-20)30-19(33)14-8-29-32(18(14)21(23,24)25)16-9-26-6-11-3-1-2-4-13(11)16/h1-10H,(H,30,33)
InChIKeyDMLPROFQSSBMSJ-UHFFFAOYSA-N
MW485.81 g/mol
LogP4.79
Rot. Bonds4

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

N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609772) has the molecular formula C21H11ClF3N7O2 and a molecular weight of 485.81 g/mol. Its IUPAC name is N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609772
Molecular FormulaC21H11ClF3N7O2
Molecular Weight485.81 g/mol
Exact Mass485.06
IUPAC NameN-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cnc(-c2nnco2)c(Cl)c1)c1cnn(-c2cncc3ccccc23)c1C(F)(F)F
InChIInChI=1S/C21H11ClF3N7O2/c22-15-5-12(7-27-17(15)20-31-28-10-34-20)30-19(33)14-8-29-32(18(14)21(23,24)25)16-9-26-6-11-3-1-2-4-13(11)16/h1-10H,(H,30,33)
InChIKeyDMLPROFQSSBMSJ-UHFFFAOYSA-N
XLogP4.79
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.81
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-chloro-4-(1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinate
CID 134609752
N-(4-aminobutyl)-3-chloro-5-(1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinamide
CID 134609844
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-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1-(methoxymethyl)isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609951
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-(2H-1,2,3-triazol-2-yl)pyridin-3-yl)-1-(1-(1-ethoxyethyl)isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134610057
methyl 3-chloro-5-(3-chloro-5-(1-(isoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamido)picolinamido) picolinate
CID 134610058
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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609772) is N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1cnc(-c2nnco2)c(Cl)c1)c1cnn(-c2cncc3ccccc23)c1C(F)(F)F.
What is the InChIKey of N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DMLPROFQSSBMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClF3N7O2/c22-15-5-12(7-27-17(15)20-31-28-10-34-20)30-19(33)14-8-29-32(18(14)21(23,24)25)16-9-26-6-11-3-1-2-4-13(11)16/h1-10H,(H,30,33).
What are the key properties of N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-[5-chloro-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 485.81 g/mol, XLogP of 4.79, 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-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).