N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H13F3N6O2 — CID 134609911

IUPACN-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cc1C#N
InChIInChI=1S/C21H13F3N6O2/c1-32-20-12(9-25)8-13(10-27-20)29-19(31)15-11-28-30(18(15)21(22,23)24)17-6-2-5-16-14(17)4-3-7-26-16/h2-8,10-11H,1H3,(H,29,31)
InChIKeyOFCCLYIJBXFXEM-UHFFFAOYSA-N
MW438.37 g/mol
LogP3.97
Rot. Bonds4

About N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 134609911) has the molecular formula C21H13F3N6O2 and a molecular weight of 438.37 g/mol. Its IUPAC name is N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID134609911
Molecular FormulaC21H13F3N6O2
Molecular Weight438.37 g/mol
Exact Mass438.11
IUPAC NameN-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCOc1ncc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cc1C#N
InChIInChI=1S/C21H13F3N6O2/c1-32-20-12(9-25)8-13(10-27-20)29-19(31)15-11-28-30(18(15)21(22,23)24)17-6-2-5-16-14(17)4-3-7-26-16/h2-8,10-11H,1H3,(H,29,31)
InChIKeyOFCCLYIJBXFXEM-UHFFFAOYSA-N
XLogP3.97
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 134609911) is N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is COc1ncc(NC(=O)c2cnn(-c3cccc4ncccc34)c2C(F)(F)F)cc1C#N.
What is the InChIKey of N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is OFCCLYIJBXFXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N6O2/c1-32-20-12(9-25)8-13(10-27-20)29-19(31)15-11-28-30(18(15)21(22,23)24)17-6-2-5-16-14(17)4-3-7-26-16/h2-8,10-11H,1H3,(H,29,31).
What are the key properties of N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 438.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-6-methoxy-3-pyridinyl)-1-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 134609911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).