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

C20H24FN7S — CID 53354527

IUPAC8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H24FN7S/c1-13-22-20(29-26-13)27-11-8-16(9-12-27)23-19-24-18-17(3-2-10-28(18)25-19)14-4-6-15(21)7-5-14/h4-7,16-17H,2-3,8-12H2,1H3,(H,23,25)
InChIKeyMBNLEPLTMGVBLT-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.58
Rot. Bonds4

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

8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53354527) has the molecular formula C20H24FN7S and a molecular weight of 413.53 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53354527
Molecular FormulaC20H24FN7S
Molecular Weight413.53 g/mol
Exact Mass413.18
IUPAC Name8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nsc(N2CCC(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C20H24FN7S/c1-13-22-20(29-26-13)27-11-8-16(9-12-27)23-19-24-18-17(3-2-10-28(18)25-19)14-4-6-15(21)7-5-14/h4-7,16-17H,2-3,8-12H2,1H3,(H,23,25)
InChIKeyMBNLEPLTMGVBLT-UHFFFAOYSA-N
XLogP3.58
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53354527) is 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-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-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nsc(N2CCC(Nc3nc4n(n3)CCCC4c3ccc(F)cc3)CC2)n1.
What is the InChIKey of 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is MBNLEPLTMGVBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7S/c1-13-22-20(29-26-13)27-11-8-16(9-12-27)23-19-24-18-17(3-2-10-28(18)25-19)14-4-6-15(21)7-5-14/h4-7,16-17H,2-3,8-12H2,1H3,(H,23,25).
What are the key properties of 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 413.53 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53354527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).