4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

C20H19F4N7 — CID 176893250

IUPAC4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
SMILESFc1ccc2nnc(NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)n2c1
InChIInChI=1S/C20H19F4N7/c21-12-4-9-18-28-29-19(31(18)10-12)26-14-7-5-13(6-8-14)25-16-2-1-3-17-27-15(11-30(16)17)20(22,23)24/h1-4,9-11,13-14,25H,5-8H2,(H,26,29)
InChIKeyABOVSPPIYJJMHI-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.37
Rot. Bonds4

About 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (PubChem CID 176893250) has the molecular formula C20H19F4N7 and a molecular weight of 433.41 g/mol. Its IUPAC name is 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
PubChem CID176893250
Molecular FormulaC20H19F4N7
Molecular Weight433.41 g/mol
Exact Mass433.16
IUPAC Name4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
SMILESFc1ccc2nnc(NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)n2c1
InChIInChI=1S/C20H19F4N7/c21-12-4-9-18-28-29-19(31(18)10-12)26-14-7-5-13(6-8-14)25-16-2-1-3-17-27-15(11-30(16)17)20(22,23)24/h1-4,9-11,13-14,25H,5-8H2,(H,26,29)
InChIKeyABOVSPPIYJJMHI-UHFFFAOYSA-N
XLogP4.37
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (CID 176893250) is 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is Fc1ccc2nnc(NC3CCC(Nc4cccc5nc(C(F)(F)F)cn45)CC3)n2c1.
What is the InChIKey of 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The InChIKey is ABOVSPPIYJJMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N7/c21-12-4-9-18-28-29-19(31(18)10-12)26-14-7-5-13(6-8-14)25-16-2-1-3-17-27-15(11-30(16)17)20(22,23)24/h1-4,9-11,13-14,25H,5-8H2,(H,26,29).
What are the key properties of 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine has a molecular weight of 433.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-N-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 176893250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).