5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole

C20H16ClFN6O — CID 67071018

IUPAC5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cl)cc1-c1nc(CC2CCCn3c(-c4ccncc4)nnc32)no1
InChIInChI=1S/C20H16ClFN6O/c21-14-3-4-16(22)15(11-14)20-24-17(27-29-20)10-13-2-1-9-28-18(25-26-19(13)28)12-5-7-23-8-6-12/h3-8,11,13H,1-2,9-10H2
InChIKeyPMENQUKDXQSVHT-UHFFFAOYSA-N
MW410.84 g/mol
LogP4.30
Rot. Bonds4

About 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole

5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole (PubChem CID 67071018) has the molecular formula C20H16ClFN6O and a molecular weight of 410.84 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole
PubChem CID67071018
Molecular FormulaC20H16ClFN6O
Molecular Weight410.84 g/mol
Exact Mass410.11
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole
SMILESFc1ccc(Cl)cc1-c1nc(CC2CCCn3c(-c4ccncc4)nnc32)no1
InChIInChI=1S/C20H16ClFN6O/c21-14-3-4-16(22)15(11-14)20-24-17(27-29-20)10-13-2-1-9-28-18(25-26-19(13)28)12-5-7-23-8-6-12/h3-8,11,13H,1-2,9-10H2
InChIKeyPMENQUKDXQSVHT-UHFFFAOYSA-N
XLogP4.30
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole (CID 67071018) is 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole is Fc1ccc(Cl)cc1-c1nc(CC2CCCn3c(-c4ccncc4)nnc32)no1.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is PMENQUKDXQSVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O/c21-14-3-4-16(22)15(11-14)20-24-17(27-29-20)10-13-2-1-9-28-18(25-26-19(13)28)12-5-7-23-8-6-12/h3-8,11,13H,1-2,9-10H2.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole?
5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 410.84 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-[(3-pyridin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 67071018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).