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

C20H28N6O — CID 92550451

IUPACN-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nc([C@@H]2CCN(CC3=CCCCC3)C2)c2nccnc21
InChIInChI=1S/C20H28N6O/c1-15(27)21-10-12-26-20-19(22-8-9-23-20)18(24-26)17-7-11-25(14-17)13-16-5-3-2-4-6-16/h5,8-9,17H,2-4,6-7,10-14H2,1H3,(H,21,27)/t17-/m1/s1
InChIKeyAOHDXAWPCLRKCS-QGZVFWFLSA-N
MW368.49 g/mol
LogP2.25
Rot. Bonds6

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

N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide (PubChem CID 92550451) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
PubChem CID92550451
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1nc([C@@H]2CCN(CC3=CCCCC3)C2)c2nccnc21
InChIInChI=1S/C20H28N6O/c1-15(27)21-10-12-26-20-19(22-8-9-23-20)18(24-26)17-7-11-25(14-17)13-16-5-3-2-4-6-16/h5,8-9,17H,2-4,6-7,10-14H2,1H3,(H,21,27)/t17-/m1/s1
InChIKeyAOHDXAWPCLRKCS-QGZVFWFLSA-N
XLogP2.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-[(3R)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 92550421
N-[2-[3-[1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 110242450
2-methyl-N-[2-[3-(1-methylpyrrolidin-3-yl)pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
CID 110244009
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-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242171
2-methoxy-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide
CID 95851314
3-methyl-N-[2-[3-[(3S)-1-methylpyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
CID 95851299
N-[2-[3-[(3R)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550533
N-[2-[3-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 110242181
N-[2-[3-[(3R)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92550525
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide (CID 92550451) is N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide is CC(=O)NCCn1nc([C@@H]2CCN(CC3=CCCCC3)C2)c2nccnc21.
What is the InChIKey of N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
The InChIKey is AOHDXAWPCLRKCS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15(27)21-10-12-26-20-19(22-8-9-23-20)18(24-26)17-7-11-25(14-17)13-16-5-3-2-4-6-16/h5,8-9,17H,2-4,6-7,10-14H2,1H3,(H,21,27)/t17-/m1/s1.
What are the key properties of N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide?
N-[2-[3-[(3R)-1-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide has a molecular weight of 368.49 g/mol, XLogP of 2.25, 6 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-(cyclohexen-1-ylmethyl)pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 92550451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).