N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide

C19H14F2N6O2 — CID 91893342

IUPACN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide
SMILESO=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccc(F)c(F)c1
InChIInChI=1S/C19H14F2N6O2/c20-13-4-3-11(7-14(13)21)18(28)22-9-16-25-24-15-8-12(5-6-27(15)16)19-23-17(26-29-19)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,28)
InChIKeyPBJRMOKRKKYJLW-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.86
Rot. Bonds5

About N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide

N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide (PubChem CID 91893342) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide
PubChem CID91893342
Molecular FormulaC19H14F2N6O2
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC NameN-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide
SMILESO=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccc(F)c(F)c1
InChIInChI=1S/C19H14F2N6O2/c20-13-4-3-11(7-14(13)21)18(28)22-9-16-25-24-15-8-12(5-6-27(15)16)19-23-17(26-29-19)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,28)
InChIKeyPBJRMOKRKKYJLW-UHFFFAOYSA-N
XLogP2.86
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide with MolForge

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Related Compounds

Isoxazole 80
CID 23647349
2-Chloro-4-fluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892963
2-Chloro-5-fluoro-N-({8-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91892969
N-{[8-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-3-fluorobenzamide
CID 91893121
N-{[8-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-2-fluorobenzamide
CID 91893122
2-Chloro-4-fluoro-N-({7-[3-(propan-2-YL)-1,2,4-oxadiazol-5-YL]-[1,2,4]triazolo[4,3-A]pyridin-3-YL}methyl)benzamide
CID 91893294
2-(3-Fluorophenyl)-N-{[7-(3-propyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}acetamide
CID 91909338
2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
CID 136203255
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
2-Chloro-N-{[8-(3-ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-4-fluorobenzamide
CID 91893108
N-{[7-(3-Ethyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-2-(3-fluorophenyl)acetamide
CID 91893223
N-{[7-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)-[1,2,4]triazolo[4,3-A]pyridin-3-YL]methyl}-3-fluoro-4-methylbenzamide
CID 91893319

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide?
The IUPAC name of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide (CID 91893342) is N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide?
The canonical SMILES for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide is O=C(NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccc(F)c(F)c1.
What is the InChIKey of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide?
The InChIKey is PBJRMOKRKKYJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c20-13-4-3-11(7-14(13)21)18(28)22-9-16-25-24-15-8-12(5-6-27(15)16)19-23-17(26-29-19)10-1-2-10/h3-8,10H,1-2,9H2,(H,22,28).
What are the key properties of N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide?
N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide has a molecular weight of 396.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide is sourced from PubChem (CID 91893342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).