1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one

C19H23N5O — CID 91960385

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
SMILESCCn1nc(C)c2c1cnn2CCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H23N5O/c1-3-23-17-12-20-24(19(17)14(2)21-23)11-9-18(25)22-10-8-15-6-4-5-7-16(15)13-22/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyBCYGVPZDPBDWNY-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.54
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one (PubChem CID 91960385) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
PubChem CID91960385
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one
SMILESCCn1nc(C)c2c1cnn2CCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H23N5O/c1-3-23-17-12-20-24(19(17)14(2)21-23)11-9-18(25)22-10-8-15-6-4-5-7-16(15)13-22/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyBCYGVPZDPBDWNY-UHFFFAOYSA-N
XLogP2.54
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

ethyl 4-[3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 91960393
3-(6-chloroindazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 75538330
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 91960246
N-benzyl-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)-N-methylpropanamide
CID 91960421
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-1-one
CID 3172857
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 5302443
ethyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexanoate
CID 13101561
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 18108216
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylpropan-1-one
CID 110688293
3-(4,6-dimethylpyrazolo[5,4-d]pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 91960239

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one (CID 91960385) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one is CCn1nc(C)c2c1cnn2CCC(=O)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one?
The InChIKey is BCYGVPZDPBDWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-23-17-12-20-24(19(17)14(2)21-23)11-9-18(25)22-10-8-15-6-4-5-7-16(15)13-22/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one has a molecular weight of 337.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-ethyl-6-methylpyrazolo[5,4-d]pyrazol-1-yl)propan-1-one is sourced from PubChem (CID 91960385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).