5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine

C21H13F3N6 — CID 141324047

IUPAC5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3nnc4ncn(-c5ccccc5)c4c3c2)cc1C(F)(F)F
InChIInChI=1S/C21H13F3N6/c22-21(23,24)16-9-13(10-26-19(16)25)12-6-7-17-15(8-12)18-20(29-28-17)27-11-30(18)14-4-2-1-3-5-14/h1-11H,(H2,25,26)
InChIKeyNOVHOVOWDQCJLO-UHFFFAOYSA-N
MW406.37 g/mol
LogP4.63
Rot. Bonds2

About 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine

5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 141324047) has the molecular formula C21H13F3N6 and a molecular weight of 406.37 g/mol. Its IUPAC name is 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID141324047
Molecular FormulaC21H13F3N6
Molecular Weight406.37 g/mol
Exact Mass406.12
IUPAC Name5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2ccc3nnc4ncn(-c5ccccc5)c4c3c2)cc1C(F)(F)F
InChIInChI=1S/C21H13F3N6/c22-21(23,24)16-9-13(10-26-19(16)25)12-6-7-17-15(8-12)18-20(29-28-17)27-11-30(18)14-4-2-1-3-5-14/h1-11H,(H2,25,26)
InChIKeyNOVHOVOWDQCJLO-UHFFFAOYSA-N
XLogP4.63
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 141324046
3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119002862
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 57344810
4-[6-[6-amino-5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-yl]benzamide
CID 25057485
8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-4-quinolin-6-yl-1H-imidazo[4,5-c]quinolin-2-one
CID 123889208
[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-ylidene]cyanamide
CID 56598039
[8-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-[6-(2-cyanopropan-2-yl)-3-pyridinyl]imidazo[4,5-c]quinolin-2-yl]cyanamide
CID 56598581
5-[1-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 56941623
5-[4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 162639344
8-bromo-1-[4-(2-isocyanopropan-2-yl)phenyl]imidazo[4,5-c]cinnoline
CID 123932244
3-[3-phenyl-6-(trifluoromethyl)benzimidazol-4-yl]aniline
CID 11462328
5-(2-methoxyphenyl)-3-(trifluoromethyl)pyridin-2-amine
CID 139370325

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 141324047) is 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2ccc3nnc4ncn(-c5ccccc5)c4c3c2)cc1C(F)(F)F.
What is the InChIKey of 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NOVHOVOWDQCJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N6/c22-21(23,24)16-9-13(10-26-19(16)25)12-6-7-17-15(8-12)18-20(29-28-17)27-11-30(18)14-4-2-1-3-5-14/h1-11H,(H2,25,26).
What are the key properties of 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine?
5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 406.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylimidazo[4,5-c]cinnolin-8-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 141324047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).