6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C21H25ClF3N7O — CID 90027060

IUPAC6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C3CCOCC3)nn12
InChIInChI=1S/C21H25ClF3N7O/c1-13-16(22)12-15(21(23,24)25)19-26-17(28-31(13)19)4-5-18-27-20(30-8-2-3-9-30)29-32(18)14-6-10-33-11-7-14/h12,14H,2-11H2,1H3
InChIKeyJVGBSVVQECWJJL-UHFFFAOYSA-N
MW483.93 g/mol
LogP4.04
Rot. Bonds5

About 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 90027060) has the molecular formula C21H25ClF3N7O and a molecular weight of 483.93 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID90027060
Molecular FormulaC21H25ClF3N7O
Molecular Weight483.93 g/mol
Exact Mass483.18
IUPAC Name6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C3CCOCC3)nn12
InChIInChI=1S/C21H25ClF3N7O/c1-13-16(22)12-15(21(23,24)25)19-26-17(28-31(13)19)4-5-18-27-20(30-8-2-3-9-30)29-32(18)14-6-10-33-11-7-14/h12,14H,2-11H2,1H3
InChIKeyJVGBSVVQECWJJL-UHFFFAOYSA-N
XLogP4.04
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.93
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 90027060) is 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C3CCOCC3)nn12.
What is the InChIKey of 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JVGBSVVQECWJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClF3N7O/c1-13-16(22)12-15(21(23,24)25)19-26-17(28-31(13)19)4-5-18-27-20(30-8-2-3-9-30)29-32(18)14-6-10-33-11-7-14/h12,14H,2-11H2,1H3.
What are the key properties of 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 483.93 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-[2-[2-(oxan-4-yl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]ethyl]-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 90027060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).