1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

C20H22N4O2 — CID 133136395

IUPAC1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1Cc2ccnn2C(CN2CCCC2)C1
InChIInChI=1S/C20H22N4O2/c25-20(19-11-15-5-1-2-6-18(15)26-19)23-13-16-7-8-21-24(16)17(14-23)12-22-9-3-4-10-22/h1-2,5-8,11,17H,3-4,9-10,12-14H2
InChIKeyMAAARLWBNQNTKV-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.92
Rot. Bonds3

About 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone

1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 133136395) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID133136395
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESO=C(c1cc2ccccc2o1)N1Cc2ccnn2C(CN2CCCC2)C1
InChIInChI=1S/C20H22N4O2/c25-20(19-11-15-5-1-2-6-18(15)26-19)23-13-16-7-8-21-24(16)17(14-23)12-22-9-3-4-10-22/h1-2,5-8,11,17H,3-4,9-10,12-14H2
InChIKeyMAAARLWBNQNTKV-UHFFFAOYSA-N
XLogP2.92
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-2-yl-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142158
1-benzofuran-2-yl-[(7S)-7-[2-(dimethylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124815305
1-benzofuran-2-yl-(3-bromopiperidin-1-yl)methanone
CID 80660959
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
1-[[5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 131693666
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56818112
1-benzofuran-2-yl-[(4R)-4-methoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methanone
CID 124789555
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzofuran-2-yl)methanone
CID 62063378
1-benzofuran-2-yl-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 63394374
2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155828852
1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 133136395) is 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is O=C(c1cc2ccccc2o1)N1Cc2ccnn2C(CN2CCCC2)C1.
What is the InChIKey of 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is MAAARLWBNQNTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-20(19-11-15-5-1-2-6-18(15)26-19)23-13-16-7-8-21-24(16)17(14-23)12-22-9-3-4-10-22/h1-2,5-8,11,17H,3-4,9-10,12-14H2.
What are the key properties of 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 133136395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).