4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H27FN4O — CID 171648490

IUPAC4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1c(C2CN(C(=O)NCCCCCF)Cc3ccccc32)cnn1C
InChIInChI=1S/C20H27FN4O/c1-15-18(12-23-24(15)2)19-14-25(13-16-8-4-5-9-17(16)19)20(26)22-11-7-3-6-10-21/h4-5,8-9,12,19H,3,6-7,10-11,13-14H2,1-2H3,(H,22,26)
InChIKeyRXUFGLJPNVOUHI-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.53
Rot. Bonds6

About 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 171648490) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID171648490
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1c(C2CN(C(=O)NCCCCCF)Cc3ccccc32)cnn1C
InChIInChI=1S/C20H27FN4O/c1-15-18(12-23-24(15)2)19-14-25(13-16-8-4-5-9-17(16)19)20(26)22-11-7-3-6-10-21/h4-5,8-9,12,19H,3,6-7,10-11,13-14H2,1-2H3,(H,22,26)
InChIKeyRXUFGLJPNVOUHI-UHFFFAOYSA-N
XLogP3.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide 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

4-(1,5-dimethylpyrazol-4-yl)-N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 171648474
3-(4-bromophenyl)-1-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
CID 171648473
2-cyclohexylethyl 4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 171648489
[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-(5-propyl-1,3,4-thiadiazol-2-yl)methanone
CID 171648833
N-[(3-methylimidazol-4-yl)methyl]-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126808465
[1-(2,4-difluorophenyl)-5-methylpyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 177169460
[1-(2,4-difluorophenyl)-5-methyltriazol-4-yl]-[4-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 177169465
N-[2-(4-methoxyphenyl)ethyl]-4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121198622
4-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 119105772
2-(3-methoxypropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260999
methyl 5-[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-oxopentanoate
CID 121198537
7-(1,3-dihydroisoindole-2-carbonylamino)heptanoic acid
CID 62230506

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 171648490) is 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1c(C2CN(C(=O)NCCCCCF)Cc3ccccc32)cnn1C.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is RXUFGLJPNVOUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-15-18(12-23-24(15)2)19-14-25(13-16-8-4-5-9-17(16)19)20(26)22-11-7-3-6-10-21/h4-5,8-9,12,19H,3,6-7,10-11,13-14H2,1-2H3,(H,22,26).
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-N-(5-fluoropentyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 171648490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).