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

C20H19F2N7S — CID 53353628

IUPAC8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)n1
InChIInChI=1S/C20H19F2N7S/c1-12-23-20(30-27-12)28-9-6-14(7-10-28)24-19-25-18-15(3-2-8-29(18)26-19)13-4-5-16(21)17(22)11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,24,26)
InChIKeyIGYPLORWXVEQGK-UHFFFAOYSA-N
MW427.48 g/mol
LogP3.92
Rot. Bonds4

About 8-(3,4-difluorophenyl)-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)-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 53353628) has the molecular formula C20H19F2N7S and a molecular weight of 427.48 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-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)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53353628
Molecular FormulaC20H19F2N7S
Molecular Weight427.48 g/mol
Exact Mass427.14
IUPAC Name8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)n1
InChIInChI=1S/C20H19F2N7S/c1-12-23-20(30-27-12)28-9-6-14(7-10-28)24-19-25-18-15(3-2-8-29(18)26-19)13-4-5-16(21)17(22)11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,24,26)
InChIKeyIGYPLORWXVEQGK-UHFFFAOYSA-N
XLogP3.92
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 53.92
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)-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)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53353628) is 8-(3,4-difluorophenyl)-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)-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)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)cccn4n3)CC2)n1.
What is the InChIKey of 8-(3,4-difluorophenyl)-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 IGYPLORWXVEQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7S/c1-12-23-20(30-27-12)28-9-6-14(7-10-28)24-19-25-18-15(3-2-8-29(18)26-19)13-4-5-16(21)17(22)11-13/h2-5,8,11,14H,6-7,9-10H2,1H3,(H,24,26).
What are the key properties of 8-(3,4-difluorophenyl)-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)-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 427.48 g/mol, XLogP of 3.92, 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)-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 53353628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).