N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide

C20H20N6O2 — CID 110246025

IUPACN-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCn1nc(C2CCNC2)c2nccnc21)c1cc2ccccc2o1
InChIInChI=1S/C20H20N6O2/c27-20(16-11-13-3-1-2-4-15(13)28-16)24-9-10-26-19-18(22-7-8-23-19)17(25-26)14-5-6-21-12-14/h1-4,7-8,11,14,21H,5-6,9-10,12H2,(H,24,27)
InChIKeyXDBCEWYNCVNADY-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide

N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 110246025) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID110246025
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCn1nc(C2CCNC2)c2nccnc21)c1cc2ccccc2o1
InChIInChI=1S/C20H20N6O2/c27-20(16-11-13-3-1-2-4-15(13)28-16)24-9-10-26-19-18(22-7-8-23-19)17(25-26)14-5-6-21-12-14/h1-4,7-8,11,14,21H,5-6,9-10,12H2,(H,24,27)
InChIKeyXDBCEWYNCVNADY-UHFFFAOYSA-N
XLogP2.08
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
CID 110242274
2,6-dimethoxy-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]benzamide
CID 92600515
2-methoxy-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]benzamide
CID 110242284
3,3-dimethyl-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]butanamide
CID 92552232
2-cyclopent-2-en-1-yl-N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]acetamide
CID 110242328
(2S)-2-(4-methylphenoxy)-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propanamide
CID 92557951
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
N-[2-(4-cyclopentyl-6-oxopyrimidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121120373
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethanamine
CID 92596355
N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 90649233
(2R)-1-(4-fluorophenyl)-N-[2-[3-[(3R)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]ethyl]propan-2-amine
CID 92582092
2-[4-(dimethylamino)phenyl]-N-[2-[3-[(3S)-pyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]acetamide
CID 92607118

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide (CID 110246025) is N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCn1nc(C2CCNC2)c2nccnc21)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is XDBCEWYNCVNADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-20(16-11-13-3-1-2-4-15(13)28-16)24-9-10-26-19-18(22-7-8-23-19)17(25-26)14-5-6-21-12-14/h1-4,7-8,11,14,21H,5-6,9-10,12H2,(H,24,27).
What are the key properties of N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide?
N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyrrolidin-3-ylpyrazolo[3,4-b]pyrazin-1-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110246025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).