1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

C24H23FN4O2S — CID 2521695

IUPAC1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3N3CCOCC3)cc12
InChIInChI=1S/C24H23FN4O2S/c1-16-19-14-22(32-24(19)29(27-16)15-17-6-8-18(25)9-7-17)23(30)26-20-4-2-3-5-21(20)28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,26,30)
InChIKeyCOKPYROUYAPPFR-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.68
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2521695) has the molecular formula C24H23FN4O2S and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2521695
Molecular FormulaC24H23FN4O2S
Molecular Weight450.54 g/mol
Exact Mass450.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3N3CCOCC3)cc12
InChIInChI=1S/C24H23FN4O2S/c1-16-19-14-22(32-24(19)29(27-16)15-17-6-8-18(25)9-7-17)23(30)26-20-4-2-3-5-21(20)28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,26,30)
InChIKeyCOKPYROUYAPPFR-UHFFFAOYSA-N
XLogP4.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide (CID 2521695) is 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccccc3N3CCOCC3)cc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is COKPYROUYAPPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2S/c1-16-19-14-22(32-24(19)29(27-16)15-17-6-8-18(25)9-7-17)23(30)26-20-4-2-3-5-21(20)28-10-12-31-13-11-28/h2-9,14H,10-13,15H2,1H3,(H,26,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-morpholin-4-ylphenyl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2521695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).