5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide

C20H18N4OS — CID 164618607

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cnccc4c3)s2)n1
InChIInChI=1S/C20H18N4OS/c1-13-9-14(2)24(23-13)12-18-5-6-19(26-18)20(25)22-17-4-3-16-11-21-8-7-15(16)10-17/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyGYYGGIGJEHJKQW-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.41
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide (PubChem CID 164618607) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide
PubChem CID164618607
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cnccc4c3)s2)n1
InChIInChI=1S/C20H18N4OS/c1-13-9-14(2)24(23-13)12-18-5-6-19(26-18)20(25)22-17-4-3-16-11-21-8-7-15(16)10-17/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyGYYGGIGJEHJKQW-UHFFFAOYSA-N
XLogP4.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-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

1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
3-methyl-1-(2-methylphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 663824
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
1H-Pyrazole-4-carboxamide, N-2-naphthalenyl-1-phenyl-3-(2-thienyl)-
CID 2308236
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
N-hydroxy-5-(1-(2-oxo-2-(quinolin-8-ylamino)ethyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 9977875
2-Methyl-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-1,2,6-triaza-cyclopenta[e]azulene-6-carbonyl)-phenyl]-benzamide
CID 44374839
Hdac1/2-IN-3
CID 130319550
5-acetyl-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]thiophene-2-carboxamide
CID 22978186
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
1-benzyl-3-methyl-N-(pyridin-3-ylmethyl)thieno[2,3-c]pyrazole-5-carboxamide
CID 2099780
N'-{[2,5-dimethyl-1-(6-quinolinyl)-1H-pyrrol-3-yl]methylene}-2-thiophenecarbohydrazide
CID 5455865

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide (CID 164618607) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cnccc4c3)s2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide?
The InChIKey is GYYGGIGJEHJKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-9-14(2)24(23-13)12-18-5-6-19(26-18)20(25)22-17-4-3-16-11-21-8-7-15(16)10-17/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-isoquinolin-6-ylthiophene-2-carboxamide is sourced from PubChem (CID 164618607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).