N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide

C19H15FN6O2 — CID 175682282

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1nnn2ccccc12
InChIInChI=1S/C19H15FN6O2/c1-10-5-6-11(17-22-19(28-24-17)12-9-13(12)20)8-14(10)21-18(27)16-15-4-2-3-7-26(15)25-23-16/h2-8,12-13H,9H2,1H3,(H,21,27)/t12-,13-/m0/s1
InChIKeySIKSNANBUKZKJG-STQMWFEESA-N
MW378.37 g/mol
LogP3.17
Rot. Bonds4

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 175682282) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide
PubChem CID175682282
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1nnn2ccccc12
InChIInChI=1S/C19H15FN6O2/c1-10-5-6-11(17-22-19(28-24-17)12-9-13(12)20)8-14(10)21-18(27)16-15-4-2-3-7-26(15)25-23-16/h2-8,12-13H,9H2,1H3,(H,21,27)/t12-,13-/m0/s1
InChIKeySIKSNANBUKZKJG-STQMWFEESA-N
XLogP3.17
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide (CID 175682282) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1nnn2ccccc12.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is SIKSNANBUKZKJG-STQMWFEESA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-10-5-6-11(17-22-19(28-24-17)12-9-13(12)20)8-14(10)21-18(27)16-15-4-2-3-7-26(15)25-23-16/h2-8,12-13H,9H2,1H3,(H,21,27)/t12-,13-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]triazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 175682282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).