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

C22H22N6O2 — CID 99756548

IUPAC(2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccccc1
InChIInChI=1S/C22H22N6O2/c1-2-17(14-6-4-3-5-7-14)21(29)23-13-19-26-25-18-12-16(10-11-28(18)19)22-24-20(27-30-22)15-8-9-15/h3-7,10-12,15,17H,2,8-9,13H2,1H3,(H,23,29)/t17-/m1/s1
InChIKeyBPBZEWRZHXUUSM-QGZVFWFLSA-N
MW402.46 g/mol
LogP3.47
Rot. Bonds7

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

(2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide (PubChem CID 99756548) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide
PubChem CID99756548
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name(2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccccc1
InChIInChI=1S/C22H22N6O2/c1-2-17(14-6-4-3-5-7-14)21(29)23-13-19-26-25-18-12-16(10-11-28(18)19)22-24-20(27-30-22)15-8-9-15/h3-7,10-12,15,17H,2,8-9,13H2,1H3,(H,23,29)/t17-/m1/s1
InChIKeyBPBZEWRZHXUUSM-QGZVFWFLSA-N
XLogP3.47
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2S)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide
CID 99756549
N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,6-difluorobenzamide
CID 91893309
3-chloro-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893325
N-cyclohexyl-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179452
N-(3-chlorophenyl)-2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179442
2-[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179438
N-[[7-(3-ethyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclobutanecarboxamide
CID 91893260
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 91631873
2-methoxy-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91893287
2-methyl-N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 91817928
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyridine-4-carboxamide
CID 91893207
N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 91817927

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide (CID 99756548) is (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide is CC[C@@H](C(=O)NCc1nnc2cc(-c3nc(C4CC4)no3)ccn12)c1ccccc1.
What is the InChIKey of (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide?
The InChIKey is BPBZEWRZHXUUSM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-2-17(14-6-4-3-5-7-14)21(29)23-13-19-26-25-18-12-16(10-11-28(18)19)22-24-20(27-30-22)15-8-9-15/h3-7,10-12,15,17H,2,8-9,13H2,1H3,(H,23,29)/t17-/m1/s1.
What are the key properties of (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide?
(2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide has a molecular weight of 402.46 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[7-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 99756548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).