2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide

C15H22N6O2 — CID 95851314

IUPAC2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
SMILESCOCC(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21
InChIInChI=1S/C15H22N6O2/c1-20-7-3-11(9-20)13-14-15(18-5-4-17-14)21(19-13)8-6-16-12(22)10-23-2/h4-5,11H,3,6-10H2,1-2H3,(H,16,22)/t11-/m0/s1
InChIKeyPLQIUEFRHKDZTN-NSHDSACASA-N
MW318.38 g/mol
LogP0.01
Rot. Bonds6

About 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide

2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide (PubChem CID 95851314) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
PubChem CID95851314
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
SMILESCOCC(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21
InChIInChI=1S/C15H22N6O2/c1-20-7-3-11(9-20)13-14-15(18-5-4-17-14)21(19-13)8-6-16-12(22)10-23-2/h4-5,11H,3,6-10H2,1-2H3,(H,16,22)/t11-/m0/s1
InChIKeyPLQIUEFRHKDZTN-NSHDSACASA-N
XLogP0.01
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
CID 95851299
2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
CID 110244009
2-(3-methoxyphenyl)-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 95851320
2-(3-fluorophenyl)-N-[2-[3-[(3R)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 95851345
N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 92550421
3-(3-methoxy-1,2-oxazol-5-yl)-N-[2-[3-[(3R)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]propanamide
CID 92607910
3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
CID 92552232
N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 92550451
N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 110242450
2-cyclohexyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 92577975
N-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-2-methoxyacetamide
CID 119102754
2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide
CID 92600515

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide (CID 95851314) is 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide is COCC(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21.
What is the InChIKey of 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The InChIKey is PLQIUEFRHKDZTN-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N6O2/c1-20-7-3-11(9-20)13-14-15(18-5-4-17-14)21(19-13)8-6-16-12(22)10-23-2/h4-5,11H,3,6-10H2,1-2H3,(H,16,22)/t11-/m0/s1.
What are the key properties of 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 95851314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).