N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide

C18H26N6O2 — CID 92550421

IUPACN-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21
InChIInChI=1S/C18H26N6O2/c1-12(25)19-8-10-24-16-15(20-6-7-21-16)14(22-24)13-5-9-23(11-13)17(26)18(2,3)4/h6-7,13H,5,8-11H2,1-4H3,(H,19,25)/t13-/m1/s1
InChIKeySXOZYUBTJCXXFD-CYBMUJFWSA-N
MW358.45 g/mol
LogP1.32
Rot. Bonds4

About N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide

N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide (PubChem CID 92550421) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
PubChem CID92550421
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21
InChIInChI=1S/C18H26N6O2/c1-12(25)19-8-10-24-16-15(20-6-7-21-16)14(22-24)13-5-9-23(11-13)17(26)18(2,3)4/h6-7,13H,5,8-11H2,1-4H3,(H,19,25)/t13-/m1/s1
InChIKeySXOZYUBTJCXXFD-CYBMUJFWSA-N
XLogP1.32
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 95851358
N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 110242450
N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 92550451
2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
CID 110244009
N-[2-[3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242211
3-methyl-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
CID 95851299
2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 95851314
1-[(3S)-3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 92551631
N-[2-[3-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242203
N-[2-[3-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550481
N-[2-[3-[1-(2-methylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242183
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-3-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 95851356

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide (CID 92550421) is N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc([C@@H]2CCN(C(=O)C(C)(C)C)C2)c2nccnc21.
What is the InChIKey of N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The InChIKey is SXOZYUBTJCXXFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12(25)19-8-10-24-16-15(20-6-7-21-16)14(22-24)13-5-9-23(11-13)17(26)18(2,3)4/h6-7,13H,5,8-11H2,1-4H3,(H,19,25)/t13-/m1/s1.
What are the key properties of N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide has a molecular weight of 358.45 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 92550421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).