[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone

C20H24N4O2 — CID 131695062

IUPAC[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2Cc3ccnn3CCC2CN(C)C)oc2ccccc12
InChIInChI=1S/C20H24N4O2/c1-14-17-6-4-5-7-18(17)26-19(14)20(25)23-13-16-8-10-21-24(16)11-9-15(23)12-22(2)3/h4-8,10,15H,9,11-13H2,1-3H3
InChIKeyMKNHTGNAAZYMET-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.91
Rot. Bonds3

About [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone

[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone (PubChem CID 131695062) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone
PubChem CID131695062
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone
SMILESCc1c(C(=O)N2Cc3ccnn3CCC2CN(C)C)oc2ccccc12
InChIInChI=1S/C20H24N4O2/c1-14-17-6-4-5-7-18(17)26-19(14)20(25)23-13-16-8-10-21-24(16)11-9-15(23)12-22(2)3/h4-8,10,15H,9,11-13H2,1-3H3
InChIKeyMKNHTGNAAZYMET-UHFFFAOYSA-N
XLogP2.91
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone with MolForge

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Related Compounds

1-[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-(2-methylphenyl)ethanone
CID 131694577
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119469689
1,4-diazabicyclo[3.2.2]nonan-4-yl-(3-methyl-1-benzofuran-2-yl)methanone
CID 68596839
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 120817018
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076
(4-methyl-1,3-oxazol-5-yl)-[6-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131695429
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-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178
N-cyclopropyl-5-(3-methyl-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131693071
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591

Frequently Asked Questions

What is the IUPAC name of [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The IUPAC name of [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone (CID 131695062) is [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone is Cc1c(C(=O)N2Cc3ccnn3CCC2CN(C)C)oc2ccccc12.
What is the InChIKey of [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
The InChIKey is MKNHTGNAAZYMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14-17-6-4-5-7-18(17)26-19(14)20(25)23-13-16-8-10-21-24(16)11-9-15(23)12-22(2)3/h4-8,10,15H,9,11-13H2,1-3H3.
What are the key properties of [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone?
[6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 131695062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).