N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide

C20H29N5O2 — CID 110242211

IUPACN-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nc(C2CCN(C(=O)CC(C)(C)C)C2)c2cccnc21
InChIInChI=1S/C20H29N5O2/c1-14(26)21-9-11-25-19-16(6-5-8-22-19)18(23-25)15-7-10-24(13-15)17(27)12-20(2,3)4/h5-6,8,15H,7,9-13H2,1-4H3,(H,21,26)
InChIKeyLEDZWKYYDQGCBC-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.32
Rot. Bonds5

About N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide

N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (PubChem CID 110242211) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
PubChem CID110242211
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nc(C2CCN(C(=O)CC(C)(C)C)C2)c2cccnc21
InChIInChI=1S/C20H29N5O2/c1-14(26)21-9-11-25-19-16(6-5-8-22-19)18(23-25)15-7-10-24(13-15)17(27)12-20(2,3)4/h5-6,8,15H,7,9-13H2,1-4H3,(H,21,26)
InChIKeyLEDZWKYYDQGCBC-UHFFFAOYSA-N
XLogP2.32
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 92552138
N-[2-[3-[(3R)-1-(2-pyridin-2-ylacetyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550499
N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550481
N-[2-[3-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242203
N-[2-[3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242183
N-[2-[3-[(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550477
N-[2-[3-[(3R)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550503
N-[2-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242171
N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide
CID 92548855
N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]-3-cyclopentylpropanamide
CID 92548871
N-[2-[3-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550522
N-[2-[3-[(3R)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550531

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide (CID 110242211) is N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc(C2CCN(C(=O)CC(C)(C)C)C2)c2cccnc21.
What is the InChIKey of N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?
The InChIKey is LEDZWKYYDQGCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14(26)21-9-11-25-19-16(6-5-8-22-19)18(23-25)15-7-10-24(13-15)17(27)12-20(2,3)4/h5-6,8,15H,7,9-13H2,1-4H3,(H,21,26).
What are the key properties of N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide?
N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide has a molecular weight of 371.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide is sourced from PubChem (CID 110242211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).