4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine

C22H21FN4S — CID 135574045

IUPAC4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine
SMILESFc1ccc2c(c1)N=C(N1CCN(Cc3ccccc3)CC1)c1sccc1N2
InChIInChI=1S/C22H21FN4S/c23-17-6-7-18-20(14-17)25-22(21-19(24-18)8-13-28-21)27-11-9-26(10-12-27)15-16-4-2-1-3-5-16/h1-8,13-14,24H,9-12,15H2
InChIKeyONFDWEOKJFIGMN-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.84
Rot. Bonds2

About 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine

4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine (PubChem CID 135574045) has the molecular formula C22H21FN4S and a molecular weight of 392.50 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine
PubChem CID135574045
Molecular FormulaC22H21FN4S
Molecular Weight392.50 g/mol
Exact Mass392.15
IUPAC Name4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine
SMILESFc1ccc2c(c1)N=C(N1CCN(Cc3ccccc3)CC1)c1sccc1N2
InChIInChI=1S/C22H21FN4S/c23-17-6-7-18-20(14-17)25-22(21-19(24-18)8-13-28-21)27-11-9-26(10-12-27)15-16-4-2-1-3-5-16/h1-8,13-14,24H,9-12,15H2
InChIKeyONFDWEOKJFIGMN-UHFFFAOYSA-N
XLogP4.84
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine (CID 135574045) is 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine is Fc1ccc2c(c1)N=C(N1CCN(Cc3ccccc3)CC1)c1sccc1N2.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine?
The InChIKey is ONFDWEOKJFIGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4S/c23-17-6-7-18-20(14-17)25-22(21-19(24-18)8-13-28-21)27-11-9-26(10-12-27)15-16-4-2-1-3-5-16/h1-8,13-14,24H,9-12,15H2.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine?
4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine has a molecular weight of 392.50 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-7-fluoro-10H-thieno[3,2-b][1,5]benzodiazepine is sourced from PubChem (CID 135574045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).