8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H21F2N7S — CID 53354016

IUPAC8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccc(F)c(F)c2)c2nc(NC3CCN(c4nc(C)ns4)CC3)nn2c1
InChIInChI=1S/C21H21F2N7S/c1-12-9-16(14-3-4-17(22)18(23)10-14)19-26-20(27-30(19)11-12)25-15-5-7-29(8-6-15)21-24-13(2)28-31-21/h3-4,9-11,15H,5-8H2,1-2H3,(H,25,27)
InChIKeyHEGMUPVUSWJQHE-UHFFFAOYSA-N
MW441.51 g/mol
LogP4.22
Rot. Bonds4

About 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53354016) has the molecular formula C21H21F2N7S and a molecular weight of 441.51 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53354016
Molecular FormulaC21H21F2N7S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(-c2ccc(F)c(F)c2)c2nc(NC3CCN(c4nc(C)ns4)CC3)nn2c1
InChIInChI=1S/C21H21F2N7S/c1-12-9-16(14-3-4-17(22)18(23)10-14)19-26-20(27-30(19)11-12)25-15-5-7-29(8-6-15)21-24-13(2)28-31-21/h3-4,9-11,15H,5-8H2,1-2H3,(H,25,27)
InChIKeyHEGMUPVUSWJQHE-UHFFFAOYSA-N
XLogP4.22
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53354016) is 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(-c2ccc(F)c(F)c2)c2nc(NC3CCN(c4nc(C)ns4)CC3)nn2c1.
What is the InChIKey of 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HEGMUPVUSWJQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N7S/c1-12-9-16(14-3-4-17(22)18(23)10-14)19-26-20(27-30(19)11-12)25-15-5-7-29(8-6-15)21-24-13(2)28-31-21/h3-4,9-11,15H,5-8H2,1-2H3,(H,25,27).
What are the key properties of 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 441.51 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-6-methyl-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53354016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).