5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C17H15F3N4O2 — CID 57393977

IUPAC5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCOc1cc2nncc(-c3ccc(NCC(F)(F)F)nc3)c2cc1OC
InChIInChI=1S/C17H15F3N4O2/c1-25-14-5-11-12(8-23-24-13(11)6-15(14)26-2)10-3-4-16(21-7-10)22-9-17(18,19)20/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyUCJKDRQADVKUQZ-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.68
Rot. Bonds5

About 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 57393977) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID57393977
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCOc1cc2nncc(-c3ccc(NCC(F)(F)F)nc3)c2cc1OC
InChIInChI=1S/C17H15F3N4O2/c1-25-14-5-11-12(8-23-24-13(11)6-15(14)26-2)10-3-4-16(21-7-10)22-9-17(18,19)20/h3-8H,9H2,1-2H3,(H,21,22)
InChIKeyUCJKDRQADVKUQZ-UHFFFAOYSA-N
XLogP3.68
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 57393977) is 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is COc1cc2nncc(-c3ccc(NCC(F)(F)F)nc3)c2cc1OC.
What is the InChIKey of 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is UCJKDRQADVKUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-25-14-5-11-12(8-23-24-13(11)6-15(14)26-2)10-3-4-16(21-7-10)22-9-17(18,19)20/h3-8H,9H2,1-2H3,(H,21,22).
What are the key properties of 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 364.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxycinnolin-4-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 57393977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).