N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

C24H24N4OS2 — CID 46638008

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1c(-n2cccc2)sc2c1CCSC2
InChIInChI=1S/C24H24N4OS2/c1-26(14-19-13-25-28(16-19)15-18-7-3-2-4-8-18)23(29)22-20-9-12-30-17-21(20)31-24(22)27-10-5-6-11-27/h2-8,10-11,13,16H,9,12,14-15,17H2,1H3
InChIKeyGFKUEKIUVFICMT-UHFFFAOYSA-N
MW448.62 g/mol
LogP4.85
Rot. Bonds6

About N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (PubChem CID 46638008) has the molecular formula C24H24N4OS2 and a molecular weight of 448.62 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
PubChem CID46638008
Molecular FormulaC24H24N4OS2
Molecular Weight448.62 g/mol
Exact Mass448.14
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESCN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1c(-n2cccc2)sc2c1CCSC2
InChIInChI=1S/C24H24N4OS2/c1-26(14-19-13-25-28(16-19)15-18-7-3-2-4-8-18)23(29)22-20-9-12-30-17-21(20)31-24(22)27-10-5-6-11-27/h2-8,10-11,13,16H,9,12,14-15,17H2,1H3
InChIKeyGFKUEKIUVFICMT-UHFFFAOYSA-N
XLogP4.85
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (CID 46638008) is N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1c(-n2cccc2)sc2c1CCSC2.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The InChIKey is GFKUEKIUVFICMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS2/c1-26(14-19-13-25-28(16-19)15-18-7-3-2-4-8-18)23(29)22-20-9-12-30-17-21(20)31-24(22)27-10-5-6-11-27/h2-8,10-11,13,16H,9,12,14-15,17H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide has a molecular weight of 448.62 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is sourced from PubChem (CID 46638008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).