[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

C20H23N3O4 — CID 133142311

IUPAC[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
SMILESO=C(c1cccc2c1OCCO2)N1Cc2ccnn2CC(OCC2CC2)C1
InChIInChI=1S/C20H23N3O4/c24-20(17-2-1-3-18-19(17)26-9-8-25-18)22-10-15-6-7-21-23(15)12-16(11-22)27-13-14-4-5-14/h1-3,6-7,14,16H,4-5,8-13H2
InChIKeyKWRDBZQGGBZRPY-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.11
Rot. Bonds4

About [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone (PubChem CID 133142311) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
PubChem CID133142311
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
SMILESO=C(c1cccc2c1OCCO2)N1Cc2ccnn2CC(OCC2CC2)C1
InChIInChI=1S/C20H23N3O4/c24-20(17-2-1-3-18-19(17)26-9-8-25-18)22-10-15-6-7-21-23(15)12-16(11-22)27-13-14-4-5-14/h1-3,6-7,14,16H,4-5,8-13H2
InChIKeyKWRDBZQGGBZRPY-UHFFFAOYSA-N
XLogP2.11
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(7R)-7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-methylfuran-3-yl)methanone
CID 124811147
[5-(cyclopropylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 131648184
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methylsulfanylethanone
CID 131694281
[(7S)-7-(cyclopropylmethoxy)-5-thia-2-azaspiro[3.4]octan-2-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 124802173
[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone
CID 133136803
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-2-ylethanone
CID 133142164
5-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-N-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide
CID 131646748
2,3-dihydro-1,4-benzodioxin-5-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746515
2,3-dihydro-1,4-benzodioxin-5-yl-(3-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 91627905
(3-chloropiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 55188169
2-[[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126851757
[4-(cyclopropylmethoxy)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 133139931

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The IUPAC name of [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone (CID 133142311) is [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone.
What is the SMILES notation for [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The canonical SMILES for [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone is O=C(c1cccc2c1OCCO2)N1Cc2ccnn2CC(OCC2CC2)C1.
What is the InChIKey of [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The InChIKey is KWRDBZQGGBZRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c24-20(17-2-1-3-18-19(17)26-9-8-25-18)22-10-15-6-7-21-23(15)12-16(11-22)27-13-14-4-5-14/h1-3,6-7,14,16H,4-5,8-13H2.
What are the key properties of [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone has a molecular weight of 369.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone is sourced from PubChem (CID 133142311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).