5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine

C18H23N5O3S — CID 167684678

IUPAC5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCCS(=O)(=O)CC1CC(Nc2c(-c3nnc(C)o3)cnc3[nH]ccc23)C1
InChIInChI=1S/C18H23N5O3S/c1-3-6-27(24,25)10-12-7-13(8-12)21-16-14-4-5-19-17(14)20-9-15(16)18-23-22-11(2)26-18/h4-5,9,12-13H,3,6-8,10H2,1-2H3,(H2,19,20,21)
InChIKeyWZEXEBYBGQJNBR-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.94
Rot. Bonds7

About 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine

5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 167684678) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID167684678
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCCS(=O)(=O)CC1CC(Nc2c(-c3nnc(C)o3)cnc3[nH]ccc23)C1
InChIInChI=1S/C18H23N5O3S/c1-3-6-27(24,25)10-12-7-13(8-12)21-16-14-4-5-19-17(14)20-9-15(16)18-23-22-11(2)26-18/h4-5,9,12-13H,3,6-8,10H2,1-2H3,(H2,19,20,21)
InChIKeyWZEXEBYBGQJNBR-UHFFFAOYSA-N
XLogP2.94
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10981906, Example 92
CID 138595340
US10981906, Example 94
CID 138595381
US10800775, Example 9
CID 138597575
US11420966, Example 7
CID 155253897
N-[2,4-difluoro-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]propane-1-sulfonamide
CID 58316852
N-[2,4-difluoro-3-[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-1-ium-5-carbonyl]phenyl]propane-1-sulfonamide
CID 123659224
2-fluoroethyl 4-[[4-(methylsulfamoylmethyl)cyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138595404
3-[(3R,5S)-3-[[5-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-5-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 155253874
1-[(3R,5S)-3-[[5-[5-(fluoromethyl)-1,3,4-oxadiazol-2-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]-5-methylpiperidin-1-yl]but-3-yn-1-one
CID 160169262
1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 10319150
N-cyclopentyl-1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 10362966
2-(phenylsulfanylmethyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole
CID 67376850

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 167684678) is 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is CCCS(=O)(=O)CC1CC(Nc2c(-c3nnc(C)o3)cnc3[nH]ccc23)C1.
What is the InChIKey of 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is WZEXEBYBGQJNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-3-6-27(24,25)10-12-7-13(8-12)21-16-14-4-5-19-17(14)20-9-15(16)18-23-22-11(2)26-18/h4-5,9,12-13H,3,6-8,10H2,1-2H3,(H2,19,20,21).
What are the key properties of 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 389.48 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 167684678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).