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

C22H22N6O3 — CID 91893033

IUPACN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)cc1
InChIInChI=1S/C22H22N6O3/c1-30-16-9-4-14(5-10-16)6-11-19(29)23-13-18-25-26-21-17(3-2-12-28(18)21)22-24-20(27-31-22)15-7-8-15/h2-5,9-10,12,15H,6-8,11,13H2,1H3,(H,23,29)
InChIKeyYUFDHBCCAFZFHQ-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.91
Rot. Bonds8

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

N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 91893033) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
PubChem CID91893033
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC NameN-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)cc1
InChIInChI=1S/C22H22N6O3/c1-30-16-9-4-14(5-10-16)6-11-19(29)23-13-18-25-26-21-17(3-2-12-28(18)21)22-24-20(27-31-22)15-7-8-15/h2-5,9-10,12,15H,6-8,11,13H2,1H3,(H,23,29)
InChIKeyYUFDHBCCAFZFHQ-UHFFFAOYSA-N
XLogP2.91
TPSA107.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide with MolForge

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Related Compounds

N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-phenylpropanamide
CID 91893007
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4-methoxy-2-methylbenzamide
CID 91893008
3-(3-methoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]propanamide
CID 91817987
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2-methoxybenzamide
CID 91893036
2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-(3-methoxyphenyl)acetamide
CID 53179360
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3,4-difluorobenzamide
CID 91893026
ethyl 2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetate
CID 97032640
N-cycloheptyl-2-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide
CID 53179370
2-(4-ethoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 175667239
N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]cyclopropanecarboxamide
CID 91631907
2-(3-chloro-4-methoxyphenyl)-N-[[8-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]acetamide
CID 91631915
N-[[8-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91892949

Frequently Asked Questions

What is the IUPAC name of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide (CID 91893033) is N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCc2nnc3c(-c4nc(C5CC5)no4)cccn23)cc1.
What is the InChIKey of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is YUFDHBCCAFZFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-30-16-9-4-14(5-10-16)6-11-19(29)23-13-18-25-26-21-17(3-2-12-28(18)21)22-24-20(27-31-22)15-7-8-15/h2-5,9-10,12,15H,6-8,11,13H2,1H3,(H,23,29).
What are the key properties of N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide?
N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 418.46 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 91893033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).