2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide

C19H14ClFN6O2 — CID 91893067

IUPAC2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide
SMILESO=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1c(F)cccc1Cl
InChIInChI=1S/C19H14ClFN6O2/c20-12-4-1-5-13(21)15(12)18(28)22-9-14-24-25-17-11(3-2-8-27(14)17)19-23-16(26-29-19)10-6-7-10/h1-5,8,10H,6-7,9H2,(H,22,28)
InChIKeyPADDHHUSGMEESD-UHFFFAOYSA-N
MW412.81 g/mol
LogP3.38
Rot. Bonds5

About 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide

2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide (PubChem CID 91893067) has the molecular formula C19H14ClFN6O2 and a molecular weight of 412.81 g/mol. Its IUPAC name is 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide
PubChem CID91893067
Molecular FormulaC19H14ClFN6O2
Molecular Weight412.81 g/mol
Exact Mass412.09
IUPAC Name2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide
SMILESO=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1c(F)cccc1Cl
InChIInChI=1S/C19H14ClFN6O2/c20-12-4-1-5-13(21)15(12)18(28)22-9-14-24-25-17-11(3-2-8-27(14)17)19-23-16(26-29-19)10-6-7-10/h1-5,8,10H,6-7,9H2,(H,22,28)
InChIKeyPADDHHUSGMEESD-UHFFFAOYSA-N
XLogP3.38
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.81
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide (CID 91893067) is 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide is O=C(NCc1nnc2c(-c3nc(C4CC4)no3)cccn12)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide?
The InChIKey is PADDHHUSGMEESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6O2/c20-12-4-1-5-13(21)15(12)18(28)22-9-14-24-25-17-11(3-2-8-27(14)17)19-23-16(26-29-19)10-6-7-10/h1-5,8,10H,6-7,9H2,(H,22,28).
What are the key properties of 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide?
2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide has a molecular weight of 412.81 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-6-fluorobenzamide is sourced from PubChem (CID 91893067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).