5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide

C20H18N4OS — CID 164608744

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cccnc4c3)s2)n1
InChIInChI=1S/C20H18N4OS/c1-13-10-14(2)24(23-13)12-17-7-8-19(26-17)20(25)22-16-6-5-15-4-3-9-21-18(15)11-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyTUSKZUQNWOXPBV-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.41
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide (PubChem CID 164608744) 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-quinolin-7-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide
PubChem CID164608744
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cccnc4c3)s2)n1
InChIInChI=1S/C20H18N4OS/c1-13-10-14(2)24(23-13)12-17-7-8-19(26-17)20(25)22-16-6-5-15-4-3-9-21-18(15)11-16/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyTUSKZUQNWOXPBV-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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide (CID 164608744) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc4cccnc4c3)s2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide?
The InChIKey is TUSKZUQNWOXPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-10-14(2)24(23-13)12-17-7-8-19(26-17)20(25)22-16-6-5-15-4-3-9-21-18(15)11-16/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-ylthiophene-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-quinolin-7-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-quinolin-7-ylthiophene-2-carboxamide is sourced from PubChem (CID 164608744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).