4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine

C23H17F3N6OS — CID 70686991

IUPAC4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccccc3OC(F)(F)F)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H17F3N6OS/c1-14-5-4-7-17(30-14)20-21(16-9-10-19-28-13-29-32(19)12-16)34-22(31-20)27-11-15-6-2-3-8-18(15)33-23(24,25)26/h2-10,12-13H,11H2,1H3,(H,27,31)
InChIKeyAIQDEVOVNXQXKX-UHFFFAOYSA-N
MW482.49 g/mol
LogP5.73
Rot. Bonds6

About 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine

4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 70686991) has the molecular formula C23H17F3N6OS and a molecular weight of 482.49 g/mol. Its IUPAC name is 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID70686991
Molecular FormulaC23H17F3N6OS
Molecular Weight482.49 g/mol
Exact Mass482.11
IUPAC Name4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(-c2nc(NCc3ccccc3OC(F)(F)F)sc2-c2ccc3ncnn3c2)n1
InChIInChI=1S/C23H17F3N6OS/c1-14-5-4-7-17(30-14)20-21(16-9-10-19-28-13-29-32(19)12-16)34-22(31-20)27-11-15-6-2-3-8-18(15)33-23(24,25)26/h2-10,12-13H,11H2,1H3,(H,27,31)
InChIKeyAIQDEVOVNXQXKX-UHFFFAOYSA-N
XLogP5.73
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine (CID 70686991) is 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine is Cc1cccc(-c2nc(NCc3ccccc3OC(F)(F)F)sc2-c2ccc3ncnn3c2)n1.
What is the InChIKey of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is AIQDEVOVNXQXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6OS/c1-14-5-4-7-17(30-14)20-21(16-9-10-19-28-13-29-32(19)12-16)34-22(31-20)27-11-15-6-2-3-8-18(15)33-23(24,25)26/h2-10,12-13H,11H2,1H3,(H,27,31).
What are the key properties of 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine?
4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 482.49 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 70686991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).