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

C21H18F5N7S — CID 53354212

IUPAC8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)ccc(C(F)(F)F)n4n3)CC2)n1
InChIInChI=1S/C21H18F5N7S/c1-11-27-20(34-31-11)32-8-6-13(7-9-32)28-19-29-18-14(12-2-4-15(22)16(23)10-12)3-5-17(21(24,25)26)33(18)30-19/h2-5,10,13H,6-9H2,1H3,(H,28,30)
InChIKeyVIVWIEDABKKSKH-UHFFFAOYSA-N
MW495.48 g/mol
LogP4.93
Rot. Bonds4

About 8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-(trifluoromethyl)-[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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53354212) has the molecular formula C21H18F5N7S and a molecular weight of 495.48 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-(trifluoromethyl)-[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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53354212
Molecular FormulaC21H18F5N7S
Molecular Weight495.48 g/mol
Exact Mass495.13
IUPAC Name8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)ccc(C(F)(F)F)n4n3)CC2)n1
InChIInChI=1S/C21H18F5N7S/c1-11-27-20(34-31-11)32-8-6-13(7-9-32)28-19-29-18-14(12-2-4-15(22)16(23)10-12)3-5-17(21(24,25)26)33(18)30-19/h2-5,10,13H,6-9H2,1H3,(H,28,30)
InChIKeyVIVWIEDABKKSKH-UHFFFAOYSA-N
XLogP4.93
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.48
LogP ≤ 54.93
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]-5-(trifluoromethyl)-[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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53354212) is 8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-(trifluoromethyl)-[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]-5-(trifluoromethyl)-[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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2CCC(Nc3nc4c(-c5ccc(F)c(F)c5)ccc(C(F)(F)F)n4n3)CC2)n1.
What is the InChIKey of 8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is VIVWIEDABKKSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F5N7S/c1-11-27-20(34-31-11)32-8-6-13(7-9-32)28-19-29-18-14(12-2-4-15(22)16(23)10-12)3-5-17(21(24,25)26)33(18)30-19/h2-5,10,13H,6-9H2,1H3,(H,28,30).
What are the key properties of 8-(3,4-difluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5-(trifluoromethyl)-[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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 495.48 g/mol, XLogP of 4.93, 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]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53354212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).