(2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C18H22N4O3S — CID 70769575

IUPAC(2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCn1nccc1C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc2C1
InChIInChI=1S/C18H22N4O3S/c1-20-17(6-8-19-20)18(23)21-11-7-14-4-5-16(12-15(14)13-21)26(24,25)22-9-2-3-10-22/h4-6,8,12H,2-3,7,9-11,13H2,1H3
InChIKeyAOVLCGCPZHYTHP-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.40
Rot. Bonds3

About (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone

(2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 70769575) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID70769575
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name(2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCn1nccc1C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc2C1
InChIInChI=1S/C18H22N4O3S/c1-20-17(6-8-19-20)18(23)21-11-7-14-4-5-16(12-15(14)13-21)26(24,25)22-9-2-3-10-22/h4-6,8,12H,2-3,7,9-11,13H2,1H3
InChIKeyAOVLCGCPZHYTHP-UHFFFAOYSA-N
XLogP1.40
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-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

N,N-dimethyl-7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110644460
N-[(5-methylfuran-2-yl)methyl]-2-(2-methylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 70727934
3,3-dimethyl-1-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 110644483
(2-fluorophenyl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644446
cyclopentyl-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644472
2-phenyl-1-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110644452
3,4-dihydro-1H-isoquinolin-2-yl-(2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 26532522
2,2-dimethyl-1-[7-(4-methylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 70722162
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 28590324
2-(2-methylpyrazole-3-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997138
2,2,2-trifluoro-1-(7-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 3397959
1-[7-(4-hydroxy-4-phenylazepan-1-yl)sulfonyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 58282894

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 70769575) is (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is Cn1nccc1C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc2C1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is AOVLCGCPZHYTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-20-17(6-8-19-20)18(23)21-11-7-14-4-5-16(12-15(14)13-21)26(24,25)22-9-2-3-10-22/h4-6,8,12H,2-3,7,9-11,13H2,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 374.47 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 70769575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).