2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone

C19H23N3O2 — CID 131648447

IUPAC2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
SMILESCOC1CN(C(=O)CC2Cc3ccccc3C2)Cc2ccnn2C1
InChIInChI=1S/C19H23N3O2/c1-24-18-12-21(11-17-6-7-20-22(17)13-18)19(23)10-14-8-15-4-2-3-5-16(15)9-14/h2-7,14,18H,8-13H2,1H3
InChIKeyGLMILHHQVWUYMJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.05
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone

2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone (PubChem CID 131648447) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
PubChem CID131648447
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
SMILESCOC1CN(C(=O)CC2Cc3ccccc3C2)Cc2ccnn2C1
InChIInChI=1S/C19H23N3O2/c1-24-18-12-21(11-17-6-7-20-22(17)13-18)19(23)10-14-8-15-4-2-3-5-16(15)9-14/h2-7,14,18H,8-13H2,1H3
InChIKeyGLMILHHQVWUYMJ-UHFFFAOYSA-N
XLogP2.05
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone with MolForge

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Related Compounds

3-(4-ethoxyphenyl)-1-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]propan-1-one
CID 124796563
(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)-quinolin-2-ylmethanone
CID 131638697
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methylsulfanylethanone
CID 131694281
[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 124810978
(7R)-7-methoxy-5-(2-phenylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124795614
1-[(7R)-7-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-phenoxypropan-1-one
CID 124818117
1-[(5S)-5-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-(2,3-dihydro-1H-inden-2-yl)ethanone
CID 124824224
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-2-ylethanone
CID 133142164
(5-chloro-1-benzofuran-2-yl)-[(7R)-7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 124790163
2-methoxy-1-[(7S)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 97463594
2-ethoxy-1-[(7R)-7-(pyridin-3-yloxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 97463554
1-[(7R)-7-(pyridin-4-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-2-ylethanone
CID 124788150

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone (CID 131648447) is 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone is COC1CN(C(=O)CC2Cc3ccccc3C2)Cc2ccnn2C1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone?
The InChIKey is GLMILHHQVWUYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-12-21(11-17-6-7-20-22(17)13-18)19(23)10-14-8-15-4-2-3-5-16(15)9-14/h2-7,14,18H,8-13H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone?
2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-yl)-1-(7-methoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone is sourced from PubChem (CID 131648447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).