8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H23F2N7O — CID 58397875

IUPAC8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2CCC(Nc3nc4n(n3)CCCC4c3ccc(F)c(F)c3)CC2)o1
InChIInChI=1S/C20H23F2N7O/c1-12-25-26-20(30-12)28-9-6-14(7-10-28)23-19-24-18-15(3-2-8-29(18)27-19)13-4-5-16(21)17(22)11-13/h4-5,11,14-15H,2-3,6-10H2,1H3,(H,23,27)
InChIKeyZSIZFMRHYIIOLA-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.25
Rot. Bonds4

About 8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58397875) has the molecular formula C20H23F2N7O and a molecular weight of 415.45 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58397875
Molecular FormulaC20H23F2N7O
Molecular Weight415.45 g/mol
Exact Mass415.19
IUPAC Name8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2CCC(Nc3nc4n(n3)CCCC4c3ccc(F)c(F)c3)CC2)o1
InChIInChI=1S/C20H23F2N7O/c1-12-25-26-20(30-12)28-9-6-14(7-10-28)23-19-24-18-15(3-2-8-29(18)27-19)13-4-5-16(21)17(22)11-13/h4-5,11,14-15H,2-3,6-10H2,1H3,(H,23,27)
InChIKeyZSIZFMRHYIIOLA-UHFFFAOYSA-N
XLogP3.25
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.25
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-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58397875) is 8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nnc(N2CCC(Nc3nc4n(n3)CCCC4c3ccc(F)c(F)c3)CC2)o1.
What is the InChIKey of 8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ZSIZFMRHYIIOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N7O/c1-12-25-26-20(30-12)28-9-6-14(7-10-28)23-19-24-18-15(3-2-8-29(18)27-19)13-4-5-16(21)17(22)11-13/h4-5,11,14-15H,2-3,6-10H2,1H3,(H,23,27).
What are the key properties of 8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-difluorophenyl)-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 415.45 g/mol, XLogP of 3.25, 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-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 58397875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).