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

C17H21N5O3S — CID 167681903

IUPAC5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCCS(=O)(=O)CC1CC(Nc2c(-c3nnco3)cnc3[nH]ccc23)C1
InChIInChI=1S/C17H21N5O3S/c1-2-5-26(23,24)9-11-6-12(7-11)21-15-13-3-4-18-16(13)19-8-14(15)17-22-20-10-25-17/h3-4,8,10-12H,2,5-7,9H2,1H3,(H2,18,19,21)
InChIKeyVQWQEIBPRAXVHN-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.63
Rot. Bonds7

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

5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 167681903) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID167681903
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCCS(=O)(=O)CC1CC(Nc2c(-c3nnco3)cnc3[nH]ccc23)C1
InChIInChI=1S/C17H21N5O3S/c1-2-5-26(23,24)9-11-6-12(7-11)21-15-13-3-4-18-16(13)19-8-14(15)17-22-20-10-25-17/h3-4,8,10-12H,2,5-7,9H2,1H3,(H2,18,19,21)
InChIKeyVQWQEIBPRAXVHN-UHFFFAOYSA-N
XLogP2.63
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

US10981906, Example 92
CID 138595340
US10800775, Example 9
CID 138597575
US11420966, Example 7
CID 155253897
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
N-cyclohexyl-1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 67528415
1-ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]-N-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 67528416
1-ethyl-N-[(2S)-3-methylbutan-2-yl]-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 67528825
1-ethyl-N-[(2R)-3-methylbutan-2-yl]-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-amine
CID 67528908
4-[[1-Ethyl-5-[5-(methylsulfonylmethyl)-1,3,4-oxadiazol-2-yl]pyrazolo[3,4-b]pyridin-4-yl]amino]oxan-2-one
CID 67534802

Frequently Asked Questions

What is the IUPAC name of 5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 167681903) is 5-(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-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is CCCS(=O)(=O)CC1CC(Nc2c(-c3nnco3)cnc3[nH]ccc23)C1.
What is the InChIKey of 5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is VQWQEIBPRAXVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-2-5-26(23,24)9-11-6-12(7-11)21-15-13-3-4-18-16(13)19-8-14(15)17-22-20-10-25-17/h3-4,8,10-12H,2,5-7,9H2,1H3,(H2,18,19,21).
What are the key properties of 5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine?
5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 375.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3,4-oxadiazol-2-yl)-N-[3-(propylsulfonylmethyl)cyclobutyl]-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 167681903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).