1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C20H12F6N6O — CID 151570730

IUPAC1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNc1ncc(-n2ncc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2C(F)(F)F)c2ccccc12
InChIInChI=1S/C20H12F6N6O/c21-19(22,23)10-5-6-15(28-7-10)31-18(33)13-8-30-32(16(13)20(24,25)26)14-9-29-17(27)12-4-2-1-3-11(12)14/h1-9H,(H2,27,29)(H,28,31,33)
InChIKeyQEJSXHGCCXZSLJ-UHFFFAOYSA-N
MW466.35 g/mol
LogP4.69
Rot. Bonds3

About 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 151570730) has the molecular formula C20H12F6N6O and a molecular weight of 466.35 g/mol. Its IUPAC name is 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID151570730
Molecular FormulaC20H12F6N6O
Molecular Weight466.35 g/mol
Exact Mass466.10
IUPAC Name1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNc1ncc(-n2ncc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2C(F)(F)F)c2ccccc12
InChIInChI=1S/C20H12F6N6O/c21-19(22,23)10-5-6-15(28-7-10)31-18(33)13-8-30-32(16(13)20(24,25)26)14-9-29-17(27)12-4-2-1-3-11(12)14/h1-9H,(H2,27,29)(H,28,31,33)
InChIKeyQEJSXHGCCXZSLJ-UHFFFAOYSA-N
XLogP4.69
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.35
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-carboxamide
CID 134609753
N-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25481374
1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(4-methyltriazol-2-yl)-3-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610226
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813800
1-(1-aminoisoquinolin-4-yl)-N-[5-chloro-2-methyl-6-(1-methylpyrazol-3-yl)-1,2-dihydropyridin-3-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 135169934
5-amino-1-(2-pyridin-3-ylphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 122640647
N-pyridin-2-yl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 32699923
N-pyridin-4-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39953963
N-(3-carbamoylphenyl)-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25332191
5-amino-1-[2-[(3-methyloxetan-3-yl)methoxy]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 140861991
N-quinolin-3-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 43046993
methyl 4-[[1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]pyridine-2-carboxylate
CID 134609781

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 151570730) is 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Nc1ncc(-n2ncc(C(=O)Nc3ccc(C(F)(F)F)cn3)c2C(F)(F)F)c2ccccc12.
What is the InChIKey of 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is QEJSXHGCCXZSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N6O/c21-19(22,23)10-5-6-15(28-7-10)31-18(33)13-8-30-32(16(13)20(24,25)26)14-9-29-17(27)12-4-2-1-3-11(12)14/h1-9H,(H2,27,29)(H,28,31,33).
What are the key properties of 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 466.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoisoquinolin-4-yl)-5-(trifluoromethyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 151570730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).